Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester
• CAS No.: 1006037-03-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• Hs Code.: 2921309990
• Mol file: 1006037-03-1.mol

Synonyms:Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester;METHYL 4-(AMINOCYCLOPROPYL)BENZOATE;Methyl 4-(1-aMinocyclopropyl)benzoate hydrochloride;4-(1-AMinocyclopropyl)benzoic acid Methyl ester hydrochloride;4-(1-Amino-cyclopropyl)-benzoic acid methyl ester;Methyl 4-(1-aminocyclopropyl)benzoate

Chemical Property of Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester

Chemical Property:

• Melting Point: 49.6-50.4 °C
• Boiling Point: 297.5±33.0 °C(Predicted)
• PKA: 7.38±0.20(Predicted)
• PSA: 52.32000
• Density: 1.185±0.06 g/cm3(Predicted)
• LogP: 2.12130

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(1-aminocyclopropyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester

There total 3 articles about Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester 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: 98.8%

methyl 4-(1-aminocyclopropyl)benzoate MsOH salt (1006037-04-2) → 4-(1-aminocyclopropyl)-benzoic acid methyl ester (1006037-03-1)

Guidance literature:

With potassium phosphate; In Isopropyl acetate; water; at 20 ℃; for 2h; Product distribution / selectivity;

Reference yield: 87.0%

4-(1-aminocyclopropyl)benzoic acid (1014743-82-8) + diazomethyl-trimethyl-silane (18107-18-1) → 4-(1-aminocyclopropyl)-benzoic acid methyl ester (1006037-03-1)

Guidance literature:

In tetrahydrofuran; methanol; hexane; at 20 ℃; for 12h; Cooling with ice;

Reference yield:

methanol (67-56-1) + 4-(1-aminocyclopropyl)benzoic acid hydrochloride (1014645-83-0) → 4-(1-aminocyclopropyl)-benzoic acid methyl ester (1006037-03-1)

Guidance literature:

With hydrogenchloride; In water; for 16h; Reflux;

DOI:10.1021/jm901771h

upstream raw materials:

methyl 4-(1-aminocyclopropyl)benzoate MsOH salt

methanol

4-(1-aminocyclopropyl)benzoic acid hydrochloride

4-(1-aminocyclopropyl)benzoic acid

Downstream raw materials:

methyl 4-(1-aminocyclopropyl)benzoate MsOH salt

methyl 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoate

methyl 4-(1-isocyanatocyclopropyl)benzoate

methyl 4-(1-[({1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl}carbonyl)amino]cyclopropyl)benzoate