cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride

Base Information

• Chemical Name: cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride
• CAS No.: 142035-00-5
• Molecular Formula: C₇H₁₁NO₂*ClH
• Molecular Weight: 177.631
• Hs Code.: 2922498590
• European Community (EC) Number: 635-074-9
• ChEMBL ID: CHEMBL544376
• Mol file: 142035-00-5.mol

Synonyms:131783-54-5;CIS-2-AMINO-CYCLOHEX-3-ENECARBOXYLIC ACID HYDROCHLORIDE;(1R,2S)-(+)-2-AMINOCYCLOHEX-3-ENECARBOXYLIC ACID hydrochloride;(1R,2S)-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride;142035-00-5;(1R,2S)-2-aminocyclohex-3-ene-1-carboxylic acid hydrochloride;(1R,2S)-2-Aminocyclohex-3-enecarboxylic acid hydrochloride;(1R,2S)-2-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride;CHEMBL544376;SCHEMBL4506354;CIS-2-AMINO-CYCLOHEX-3-ENECARBOXYLICACIDHYDROCHLORIDE;MFCD04112725;MFCD08669705;AKOS015892973;CS-0337316;(1R,2S)-2-Amino-cyclohex-3-ene carboxylic acid hydrochloride;cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride, AldrichCPR

Chemical Property of cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride

Chemical Property:

• PSA: 63.32000
• LogP: 1.86680
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.0556563
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

cis-2-Amino-3-cyclohexene-1-carboxylicacidhydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(C=C1)N)C(=O)O.Cl
• Isomeric SMILES: C1C[C@H]([C@H](C=C1)N)C(=O)O.Cl

Technology Process of cis-2-Amino-cyclohex-3-enecarboxylic acid hydrochloride

There total 6 articles about cis-2-Amino-cyclohex-3-enecarboxylic 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: 90.0%

(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one (285560-99-8) → (1S,2R)-2-aminocyclohex-3-enecarboxylic acid hydrochloride (131783-54-5,132487-40-2,142035-00-5)

Guidance literature:

With hydrogenchloride; In water; for 3h; Heating;

DOI:10.1016/j.tetasy.2004.05.029

Reference yield: 76.0%

(1S,6R)-7-azabicyclo[4.2.0]octan-8-one → (1S,2R)-2-aminocyclohex-3-enecarboxylic acid hydrochloride (131783-54-5,132487-40-2,142035-00-5)

Guidance literature:

With hydrogenchloride; water; at 0 ℃; for 1h;

DOI:10.3390/molecules201219749

Reference yield:

ethyl cis-(2-aminocyclohex-3-ene)-1-carboxylate → C7H11NO2*HCl (131783-54-5,132487-40-2,142035-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O / Candida antarctica lipase B / diisopropyl ether / 66 h / 65 °C

2: 472 mg / aq. HCl / 4 h / Heating

With hydrogenchloride; water; Candida antarctica lipase B; In di-isopropyl ether;

DOI:10.1002/chem.200700257

upstream raw materials:

(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one

cis-2-aza-3-oxobicyclo<4.2.0>octane

Refernces

• 1、 Forro, Eniko,Fueloep, Ferenc. "The first direct enzymatic hydrolysis of alicyclic β-amino esters: A route to enantiopure cis and trans β-amino acids". . p. 6397 - 6401. Retrieved 2008/02/13.