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tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate structure

CAS No.: 869494-16-6

Chemical Name:: tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

Synonyms: tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;DM1Impurity14;3,6-DiazabicycL;o[3.1.1]heptane-6-carboxyL;6-Boc-3,6-diaza-bicyclo[3.1.1]heptane;6-Boc-3,6-diaza-bicyclo[3.1.1]heptane - [D13996];6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane;tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 97%;3,6-Diazbiclo[.1.1]heptane-6-carboxylic acid tert-butyl ester;1,1-Dimethylethyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

CBNumber:: CB12534807

Molecular Formula:: C10H18N2O2

Molecular Weight:: 198.26

MDL Number:: MFCD17016736

MOL File:: 869494-16-6.mol

MSDS File:: SDS

Last updated:2026-05-27 23:28:25

Product description	Number	Pack Size	Price
tert-Butyl 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylate min. 95.0 %	D6516	1G	$63
tert-Butyl 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylate min. 95.0 %	D6516	5G	$188
6-Boc-3,6-diazabicyclo[3.1.1]heptane	263598	50mg	$509
6-Boc-3,6-diazabicyclo[3.1.1]heptane	263598	100mg	$721
6-Boc-3,6-diazabicyclo[3.1.1]heptane	263598	250mg	$1034
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tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Properties

Boiling point	276℃
Density	1.104
Flash point	121℃
storage temp.	2-8°C(protect from light)
pka	9.53±0.20(Predicted)
form	solid
color	White to off-white
InChI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3
InChIKey	OUFBVDKNEWUFHP-UHFFFAOYSA-N
SMILES	C12CC(N1C(OC(C)(C)C)=O)CNC2

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302+H312+H332-H315-H319-H335
Precautionary statements	P280-P301+P312-P261
HS Code	2933599590

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate price More Price(73)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
TCI Chemical	D6516	tert-Butyl 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylate min. 95.0 %	869494-16-6	1G	$63	2026-04-30	Buy
TCI Chemical	D6516	tert-Butyl 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylate min. 95.0 %	869494-16-6	5G	$188	2026-04-30	Buy
Usbiological	263598	6-Boc-3,6-diazabicyclo[3.1.1]heptane	869494-16-6	50mg	$509	2026-06-03	Buy
Usbiological	263598	6-Boc-3,6-diazabicyclo[3.1.1]heptane	869494-16-6	100mg	$721	2026-06-03	Buy
Usbiological	263598	6-Boc-3,6-diazabicyclo[3.1.1]heptane	869494-16-6	250mg	$1034	2026-06-03	Buy

Product number	Packaging	Price	Buy
D6516	1G	$63	Buy
D6516	5G	$188	Buy
263598	50mg	$509	Buy
263598	100mg	$721	Buy
263598	250mg	$1034	Buy

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Chemical Properties,Uses,Production

Uses

6-(tert-Butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane can be used as an organic synthesis intermediate, primarily for synthesizing piperidine drug molecules with a bridged bicyclic structure. Bridging bicyclic piperazines is an important component in medicinal chemistry research. Among them, the bicyclic piperazine 6-(tert-Butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane is achiral, and based on its cLogP derivative analogues, it exhibits lipophilicity similar to piperazines, making it a suitable starting material for the synthesis of various drugs.

Chemical Properties

6-(tert-butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane is a white or off-white solid at room temperature and pressure, insoluble in water, and because of the molecule contains two nitrogen atoms, these nitrogen atoms can accept protons and show a certain degree of basicity. It is soluble in acidic aqueous solutions.

Synthesis

To a stirred solution of 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[(2-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester (400 mg, 1.04 mmol) in DMF (2.5 mL) were added dodecanethiol (500 μL, 2.09 mmol) and lithium hydroxide hydrate (88 mg, 2.09 mmol). The mixture was stirred at r.t. for 2 h. The mixture was diluted with hexanes-ethyl acetate (10 mL, 1:1). The mixture was extracted with aq. Hydrochloric acid (2 x 5.0 mL). The aq. layer was extracted with hexanes-ethyl acetate (10 mL, 1:1). The combined organic layers were discarded. The aq. layer was basified with NaOH (6.0 mL of 1.0 M solution) until pH=13. The aq. layer was extracted with methylene chloride-methanol (2 x 10 mL, 9:1). The organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated in vacuo to afford tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate as a white solid; Yield, 167 mg (81percent)

References

[1] Tetrahedron Letters, 2012, vol. 53, # 47, p. 6332 - 6334

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Preparation Products And Raw materials

Raw materials

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[(2-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester N,N-Dimethylformamide Lithium hydroxide monohydrate

Preparation Products

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Suppliers

Global( 170)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Shanghai Joy Biotech Ltd.	+86-15968534750 +86-1358845959750	sales@joybiotech.com	China	991	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	20122	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29640	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-2158073036	info@dakenam.com	China	13901	58
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	33024	60
Shenzhen Nexconn Pharmatechs Ltd	+86-755-89396905 +86-15013857715	admin@nexconn.com	China	10403	58
Accela ChemBio Inc.	+1-858-6993322	info@accelachem.com	United States	21193	58
career henan chemical co	+86-0371-86658258 +8613203830695	factory@coreychem.com	China	29792	58
Jinan Liheng Biotechnology Co., Ltd.	15865262812	info@lihengpharm.com	CHINA	938	58
Suzhou Ryan Pharmachem Technology Co.,Ltd.	+86-512-68780025	sales@ryanchem.com	China	169	58

Supplier	Advantage
Shanghai Joy Biotech Ltd.	58
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
ATK CHEMICAL COMPANY LIMITED	60
Shenzhen Nexconn Pharmatechs Ltd	58
Accela ChemBio Inc.	58
career henan chemical co	58
Jinan Liheng Biotechnology Co., Ltd.	58
Suzhou Ryan Pharmachem Technology Co.,Ltd.	58

View Lastest Price from tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-03-12	tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 869494-16-6			99%	20tons	Shanghai Joy Biotech Ltd.
2025-09-25	3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6	$5.00	1KG	98%		Henan Fengda Chemical Co., Ltd
2025-04-04	3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6		1KG	98%	1Ton	Henan Aochuang Chemical Co.,Ltd.

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
869494-16-6
99%
Shanghai Joy Biotech Ltd.

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester
869494-16-6
$5.00
98%
Henan Fengda Chemical Co., Ltd

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester
869494-16-6
98%
Henan Aochuang Chemical Co.,Ltd.

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Spectrum

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester(869494-16-6)¹HNMR

869494-16-6(tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate)Related Search:

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3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane (1R,5S)-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 1,1-dimethylethyl ester tert-Butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 6-Boc-3,6-diaza-bicyclo[3.1.1]heptane 3,?6-?Diazabicyclo[3.1.1]?heptane-?6-?carboxylic acid, 1,?1-?dimethylethyl ester 869494-16-6 tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 97% o[3.1.1]heptane-6-carboxyL 3,6-DiazabicycL tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate DM1Impurity14 36-Diazabicyclo131.1heptan e-6-carboxylic acid tert-butyl ester 3,6-Diazbiclo[.1.1]heptane-6-carboxylic acid tert-butyl ester 6-Boc-3,6-diaza-bicyclo[3.1.1]heptane - [D13996] 1,1-Dimethylethyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 869494-16-6

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