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1-Boc-3-(Amino)azetidine

1-Boc-3-(Amino)azetidine structure

CAS No:
193269-78-2
Formula:
C8H16N2O2
Chemical Name:
1-Boc-3-(Amino)azetidine
Synonyms:
1-Azetidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester;1-Boc-3-aminoazetidine ,97%;1-Boc-azetidin-3-amine;1-tert-Butoxycarbonyl-3-aminoazetidine;tert-Butyl 3-aminoazetidine-1-carboxylate, 3-Amino-1-(tert-butoxycarbonyl)azetidine, 3-Amino-1-(tert-butoxycarbonyl)azetane;1,1-DiMethylethyl 3-AMinoazetidine-1-carboxylate;3-AMino-1-azetidinecarboxylic Acid 1,1-DiMethylethyl Ester;tert-Butyl 3-AMino-1-azetidinecarboxylate
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear Colourless to Pale Yellow Oil

1-Boc-3-(Amino)azetidine Basic Attributes

Molecular Weight：

172.22

Exact Mass：

172.121185

DSSTox ID：

DTXSID30363973

HScode：

29339900

Characteristics

PSA：

55.6

XLogP3：

Density：

1.1g/ml

Boiling Point：

79-81 3mm

Flash Point：

96.9±25.4 °C

Refractive Index：

1.465

Storage Conditions：

Refrigerator

Vapor Pressure：

0.0468mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

2735

hazard class code：

34-51-22

safety instructions：

26-36-45-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (96.55%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 203 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Boc-3-(Amino)azetidine Use and Manufacturing

3-AMINO-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER To a solution of 3-AZIDO-AZETIDINE-1-CARBOXYLIC acid tert-butyl ester (0. 420 g, 2. 19 MMOL) in EtOAc (20 ML) was added 10percent Pd-C (100 mg). The resultant suspension stirred under an atmosphere of H2 (BALLOON). After 12 hours, the mixture was filtered through a pad of Celite. The filtrate was concentrated in vacuo to give 1. 76 g of a colorless oil in 99percent yield, which was used without further purification. 1H NMR : 51. 50 (9H, s)Preparation Example 1-83-43-Amino-azetidine-1-carboxylic acid tert-butyl ester 1.29 g (6.51 mmol) of the compound obtained from Preparation Example 1-83-3 was dissolved in 20 mL of methanol. To the solution was added palladium which is absorbed to active carbon (Pd/C) (10percent, 0.13 g), and stirred under hydrogen condition for 3 hours. The reaction mixture was filtered through Celite, distilled in vacuo to remove a solvent and purified by column chromatography using a mixed solution of methanol and dichloromethane in the ratio of 10:90 to obtain the title compound 0.82 g (73percent).

Computed Properties

Molecular Weight:172.22
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:172.121177757
Monoisotopic Mass:172.121177757
Topological Polar Surface Area:55.6
Heavy Atom Count:12
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Epichlorohydrin

Toluene

Triethylamine

Xylene

Ethyl acetate

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)

Ethanol

Dimethyl sulfoxide

Dimethylformamide

Potassium iodide

Citric acid

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