2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride

Base Information

• Chemical Name: 2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride
• CAS No.: 127117-42-4
• Molecular Formula: C₆H₉NO₂*ClH
• Molecular Weight: 163.604
• European Community (EC) Number: 965-490-9
• DSSTox Substance ID: DTXSID20595049
• Mol file: 127117-42-4.mol

Synonyms:2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride;132806-41-8;127117-42-4;2-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride;2-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID HCL;2-Azabicyclo[3.1.0]hexane-1-carboxylic acid, hydrochloride (1:1);DTXSID20595049;CS-M0415;AKOS016006926;CS-15407;DB-338093;EN300-34998;C13461;2-Azabicyclo[3.1.0]hexane-1-carboxylicacidhydrochloride;F2124-0184;2-Aza-bicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride;2-Azabicyclo[3.1.0]hexane-1-carboxylic acid--hydrogen chloride (1/1)

Chemical Property of 2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride

Chemical Property:

• PSA: 49.33000
• LogP: 0.95380
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.0400063
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

99%,98%, ^*data from raw suppliers

2-AZABICYCLO-[3.1.0]-HEXANE-1-CARBOXYLIC ACID HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNC2(C1C2)C(=O)O.Cl

Technology Process of 2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride

There total 4 articles about 2-Azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

2,3-methanoproline-O-tBu (127117-44-6,132806-38-3,134732-53-9,134732-54-0) → 2,3-methanoproline hydrochloride hydrate (127117-42-4,132806-41-8)

Guidance literature:

With hydrogenchloride; methoxybenzene; In 1,4-dioxane; Ambient temperature;

DOI:10.1016/S0040-4020(01)85122-X

Reference yield:

1-Benzyloxycarbonyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid,tert-butyl ester (75176-38-4) → 2,3-methanoproline hydrochloride hydrate (127117-42-4,132806-41-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 2.) CaCl₂ / 1.) ether, CH₂Cl₂, r.t., 24 h; 2.) 16 h; 3.) CH₂Cl₂, photolysis, 4 h

2: 85 percent / H₂ / 5 percent Pd/C / ethyl acetate / 2 h

3: 73 percent / 3.0 M HCl, anisole / dioxane / Ambient temperature

With hydrogenchloride; hydrogen; methoxybenzene; calcium chloride; palladium on activated charcoal; In 1,4-dioxane; ethyl acetate;

DOI:10.1016/S0040-4020(01)85122-X

Reference yield:

N-benzyloxycarbonyl-2,3-methanoproline-O-tBu (127117-43-5,132806-37-2,134732-55-1,134732-56-2) → 2,3-methanoproline hydrochloride hydrate (127117-42-4,132806-41-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / H₂ / 5 percent Pd/C / ethyl acetate / 2 h

2: 73 percent / 3.0 M HCl, anisole / dioxane / Ambient temperature

With hydrogenchloride; hydrogen; methoxybenzene; palladium on activated charcoal; In 1,4-dioxane; ethyl acetate;

DOI:10.1016/S0040-4020(01)85122-X

upstream raw materials:

2,3-methanoproline-O-tBu

1-Benzyloxycarbonyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid,tert-butyl ester

N-benzyloxycarbonyl-2,3-methanoproline-O-tBu

1-Pyrrolin-2-carbonsaeure-tert-butylester

Downstream raw materials:

2,3-methanoproline

Refernces