1-(3-Fluorophenyl)cyclopropanamine hydrochloride

Base Information

• Chemical Name: 1-(3-Fluorophenyl)cyclopropanamine hydrochloride
• CAS No.: 692737-66-9
• Molecular Formula: C9H10FN.ClH
• Molecular Weight: 187.644
• Hs Code.: 2921199990
• European Community (EC) Number: 809-528-3
• DSSTox Substance ID: DTXSID90693187
• Mol file: 692737-66-9.mol

Synonyms:692737-66-9;1-(3-fluorophenyl)cyclopropanamine hydrochloride;1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride;1-(3-Fluorophenyl)cyclopropanamine HCl;1-(3-FLUORO-PHENYL)-CYCLOPROPYLAMINE HYDROCHLORIDE;1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride;SCHEMBL1935988;1-(3-Fluorophenyl)-cyclopropanamine hydrochloride (1:1);DTXSID90693187;MFCD08752572;AKOS024261714;CS-W020618;DS-8855;SB38347;EN300-83153;1-(3-fluorophenyl)cyclopropanaminehydrochloride;A853012;Cyclopropanamine, 1-(3-fluorophenyl)-, hydrochloride (1;Z1250132685;1-(3-Fluoro-phenyl)-cyclopropylamine hydrochloride, AldrichCPR;1-(3-Fluorophenyl)cyclopropan-1-amine--hydrogen chloride (1/1)

Chemical Property of 1-(3-Fluorophenyl)cyclopropanamine hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 3.27580
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.0564052
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99.3% ^*data from raw suppliers

1-(3-Fluorophenyl)cyclopropanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC(=CC=C2)F)N.Cl
• Uses: 1-(3-Fluorophenyl)cyclopropanamine Hydrochloride is used in the preparation for N-cyclohexylglycines as HIV protease inhibitors.

Technology Process of 1-(3-Fluorophenyl)cyclopropanamine hydrochloride

There total 2 articles about 1-(3-Fluorophenyl)cyclopropanamine 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: 26.5%

1-(3-fluorophenyl)cyclopropane-1-carboxylic acid (248588-33-2) → 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride (692737-66-9)

Guidance literature:

1-(3-fluorophenyl)cyclopropane-1-carboxylic acid; With diphenyl phosphoryl azide; triethylamine; In tert-butyl alcohol; at 80 ℃; for 27h;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1h;

Reference yield:

1-(3-fluorophenyl)-1-cyclopropylamine (764647-70-3) → 1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride (692737-66-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; diethyl ether; at 20 ℃; for 2h;

Reference yield:

1-(3-fluorophenyl)cyclopropan-1-amine hydrochloride (692737-66-9) + 5-(4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-4-methylbenzoic acid (1215107-55-3) → 4-fluoro-2-(4-fluorophenyl)-5-(5-(1-(3-fluorophenyl)cyclopropylcarbamoyl)-4-methoxy-2-methylphenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (1215105-35-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

upstream raw materials:

1-(3-fluorophenyl)-1-cyclopropylamine

1-(3-fluorophenyl)cyclopropane-1-carboxylic acid

Downstream raw materials:

N-[1-(3-fluorophenyl)-1-cyclopropyl]glycine methyl ester

4-fluoro-2-(4-fluorophenyl)-5-(5-(1-(3-fluorophenyl)cyclopropylcarbamoyl)-4-methoxy-2-methylphenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

Refernces

• 1、 -. "N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS". Page 49; 51. . Retrieved 2010/02/07.