(1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate

Base Information

• Chemical Name: (1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate
• CAS No.: 50738-63-1
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• Mol file: 50738-63-1.mol

Synonyms:trans-Methyl 4-(aminomethyl)cyclohexanecarboxylate;(1R,4R)-Methyl 4-(aminomethyl)cyclohexanecarboxylate;

Chemical Property of (1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0373mmHg at 25°C
• Boiling Point: 240.7±13.0 °C(Predicted)
• PKA: 10.27±0.29(Predicted)
• PSA: 52.32000
• Density: 1.014±0.06 g/cm3(Predicted)
• LogP: 1.62480

Purity/Quality:

99% ^*data from raw suppliers

(1R,4R)-METHYL 4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate

There total 3 articles about (1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate 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: 78.9%

→ trans-4-aminomethyl-cyclohexanecarboxylic acid methyl ester (50738-63-1)

Guidance literature:

Reference yield:

methanol (67-56-1) + trans-4-aminomethyl-cyclohexyl-carboxylic acid (1197-18-8) → trans-4-aminomethyl-cyclohexanecarboxylic acid methyl ester (50738-63-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00273a011

Reference yield:

trans-4-aminomethyl-cyclohexyl-carboxylic acid (1197-18-8) → trans-4-aminomethyl-cyclohexanecarboxylic acid methyl ester (50738-63-1)

Guidance literature:

In methanol; ethereal hydrochloric acid;

upstream raw materials:

methanol

trans-4-aminomethyl-cyclohexyl-carboxylic acid

Refernces

• 1、 Juki?, Marko,Ila?, Janez,Brvar, Matja?,Kikelj, Danijel,Cesar, Jo?ko,Anderluh, Marko. "Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B". supporting information. p. 500 - 514. Retrieved 2016/10/04.
• 2、 Costanzo, Michael J.,Almond Jr., Harold R.,Hecker, Leonard R.,Schott, Mary R.,Yabut, Stephen C.,Zhang, Han-Cheng,Andrade-Gordon, Patricia,Corcoran, Thomas W.,Giardino, Edward C.,Kauffman, Jack A.,Lewis, Joan M.,De Garavilla, Lawrence,Haertlein, Barbara J.,Maryanoff, Bruce E.. "In-depth study of tripeptide-based α-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1′ subsite and its implications to structure-based drug design". . p. 1984 - 2008. Retrieved 2007/10/03.