1-(3,4-Difluorophenyl)cyclopropylamine hydrochloride

Base Information

• Chemical Name: 1-(3,4-Difluorophenyl)cyclopropylamine hydrochloride
• CAS No.: 573704-57-1
• Molecular Formula: C13H16N2O3
• Molecular Weight: 248.282
• DSSTox Substance ID: DTXSID80700177
• Mol file: 573704-57-1.mol

Synonyms:1186663-16-0;1-(3,4-DIFLUOROPHENYL)CYCLOPROPYLAMINE HYDROCHLORIDE;1-(3,4-difluorophenyl)cyclopropanamine hydrochloride;1-(3,4-difluorophenyl)cyclopropylamine hcl;MFCD11052338;1-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride;1-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride;1-(3,4-Difluorophenyl)cyclopropylamine, HCl;[1-(3,4-Difluorophenyl)cyclopropyl]aminehydrochloride;[1-(3,4-Difluorophenyl)cyclopropyl]amine hydrochloride;SCHEMBL18742706;DTXSID80700177;AKOS022183529;SB77650;AS-31899;SY003486;1-(3,4-difluorophenyl)cyclopropanamine HCl;CS-0044891;FT-0767610;1-(3,4-difluorophenyl)cyclopropanaminehydrochloride;1-(3,4-Difluorophenyl)cyclopropan-1-amine--hydrogen chloride (1/1)

Chemical Property of 1-(3,4-Difluorophenyl)cyclopropylamine hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.0469833
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

(S)-Benzyl3-carbamoylpyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC(=C(C=C2)F)F)N.Cl

Technology Process of 1-(3,4-Difluorophenyl)cyclopropylamine hydrochloride

There total 10 articles about 1-(3,4-Difluorophenyl)cyclopropylamine 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: 57.0%

(+)-(S)-3-cyanopyrrolidine-1-carboxylic acid benzyl ester (193693-69-5) → (+)-(S)-3-carbamidopyrrolidine-1-carboxylic acid benzyl ester (573704-57-1)

Guidance literature:

With dihydrogen peroxide; sodium carbonate; In water; acetone; at 20 ℃; for 18h;

DOI:10.1016/S0968-0896(03)00036-1

Reference yield:

(S)-(+)-3-pyrrolidinecarboxylic acid (72580-53-1) → (+)-(S)-3-carbamidopyrrolidine-1-carboxylic acid benzyl ester (573704-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 2 h / 0 °C

2: pyridine; di-tert-butyl dicarbonate; ammonium bicarbonate / 1,4-dioxane / 16 h / 25 °C

With pyridine; di-tert-butyl dicarbonate; ammonium bicarbonate; sodium hydroxide; In 1,4-dioxane; water;

DOI:10.1016/j.bmc.2017.04.005

Reference yield:

(S)-1-((benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid (192214-00-9) → (+)-(S)-3-carbamidopyrrolidine-1-carboxylic acid benzyl ester (573704-57-1)

Guidance literature:

With pyridine; di-tert-butyl dicarbonate; ammonium bicarbonate; In 1,4-dioxane; at 25 ℃; for 16h;

DOI:10.1016/j.bmc.2017.04.005

upstream raw materials:

(+)-(S)-3-cyanopyrrolidine-1-carboxylic acid benzyl ester

(3R)-3-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester

(R)-3-<(methylsulfonyl)oxy>-1-pyrrolidinecarboxylic acid phenylmethyl ester

benzyl chloroformate

Downstream raw materials:

(3S)-pyrrolidine-3-carboxamide

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