cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%

Base Information

• Chemical Name: cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%
• CAS No.: 847417-37-2
• Molecular Formula: C13H23NO3
• Molecular Weight: 241.32700
• Mol file: 847417-37-2.mol

Synonyms:ClOCCH2CO2t-Bu;cis-Boc-2-(4-aminocyclohexyl)acetaldehyde;tert-butyl (chloroformyl)acetate;t-butyl malonyl chloride;tert-butyl (cis-4-(2-oxoethyl)cyclohexyl)carbamate;tert-butyl 4-(2-oxoethyl)cyclohexylcarbamate;chlorocarbonyl-acetic acid tert-butyl ester;Propanoic acid,3-chloro-3-oxo-,1,1-dimethylethyl ester;malonyl acid chloride t-butyl ester;

Chemical Property of cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%

Chemical Property:

• Boiling Point: 360.6±11.0 °C(Predicted)
• PKA: 12.50±0.40(Predicted)
• PSA: 55.40000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 3.04980

Purity/Quality:

99%min. ^*data from raw suppliers

tert-Butyl cis-4-(2-oxoethyl)cyclohexylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97%

There total 8 articles about cis-4-(Boc-aMino)cyclohexaneacetaldehyde, 97% 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: 96.0%

ethyl 2-(cis-4-((tert-butoxycarbonyl)amino)cyclohexyl)acetate → tert-butyl ((1s,4s)-4-(2-oxoethyl)cyclohexyl)carbamate (847417-37-2)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; Inert atmosphere;

DOI:10.1021/jm401318w

Reference yield: 80.0%

tert-butyl (1r,4r)-4-(cyanomethyl)cyclohexylcarbamate → tert-butyl ((1s,4s)-4-(2-oxoethyl)cyclohexyl)carbamate (847417-37-2)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 2h;

DOI:10.1021/acs.jmedchem.9b00508

Reference yield:

tert-butyl ((1s,4s)-4-(2-hydroxyethyl)cyclohexyl)carbamate (1069120-19-9) → tert-butyl ((1s,4s)-4-(2-oxoethyl)cyclohexyl)carbamate (847417-37-2)

Guidance literature:

tert-butyl ((1s,4s)-4-(2-hydroxyethyl)cyclohexyl)carbamate; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 2h; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm8006195

upstream raw materials:

tert-butyl ((1s,4s)-4-(2-hydroxyethyl)cyclohexyl)carbamate

((1s,4s)-4-((tert-butoxycarbonyl)amino)cyclohexyl)acetic acid

cis-4-amino-cyclohexanecarboxylic acid hydrochloride

methyl (1s,4s)-4-aminocyclohexane-1-carboxylate

Downstream raw materials:

(E)-ethyl 4-((1s,4s)-4-(tert-butoxycarbonylamino)cyclohexyl)-2-methylbut-2-enoate

cis-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexanamine

tert-butyl (cis-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)carbamate

Refernces

• 1、 Shonberg, Jeremy,Herenbrink, Carmen Klein,López, Laura,Christopoulos, Arthur,Scammells, Peter J.,Capuano, Ben,Lane, J. Robert. "A structure-activity analysis of biased agonism at the dopamine D2 receptor". . p. 9199 - 9221. Retrieved 2014/01/06.