Tert-butyl 4-chlorobenzylcarbamate

Base Information

• Chemical Name: Tert-butyl 4-chlorobenzylcarbamate
• CAS No.: 120157-95-1
• Molecular Formula: C12H16ClNO2
• Molecular Weight: 241.718
• Nikkaji Number: J1.550.619I
• Mol file: 120157-95-1.mol

Synonyms:tert-butyl 4-chlorobenzylcarbamate;120157-95-1;TERT-BUTYL N-[(4-CHLOROPHENYL)METHYL]CARBAMATE;Tert-butyl (4-chlorobenzyl)carbamate;SCHEMBL6347286;tert-butyl4-chlorobenzylcarbamate;AKOS013099183;CS-0362962;AU-059/43522030

Chemical Property of Tert-butyl 4-chlorobenzylcarbamate

Chemical Property:

• Melting Point: 75-76 °C
• Boiling Point: 350.1±25.0 °C(Predicted)
• PKA: 12.05±0.46(Predicted)
• PSA: 38.33000
• Density: 1.137±0.06 g/cm3(Predicted)
• LogP: 3.75560
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.0869564
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-chlorobenzylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)Cl

Technology Process of Tert-butyl 4-chlorobenzylcarbamate

There total 18 articles about Tert-butyl 4-chlorobenzylcarbamate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-chlorobenzylamine (104-86-9) → (4-chlorobenzyl)carbamic acid tert-butyl ester (120157-95-1)

Guidance literature:

With Amberlyst-15; In dichloromethane;

DOI:10.1021/acs.jmedchem.0c02188

Reference yield: 92.0%

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine (41840-28-2) + 4-chlorobenzylamine (104-86-9) → (4-chlorobenzyl)carbamic acid tert-butyl ester (120157-95-1)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; for 6h; Ambient temperature;

Reference yield: 71.0%

[(4-chloro-phenyl)-(toluene-4-sulfonyl)-methyl]-carbamic acid tert-butyl ester (365441-81-2) → (4-chlorobenzyl)carbamic acid tert-butyl ester (120157-95-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(01)00895-4

upstream raw materials:

S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine

4-chlorobenzylamine

N-(tert-butoxycarbonyl)-N-(4-chlorobenzyl)-methanesulfonamide

di-tert-butyl dicarbonate

Downstream raw materials:

(7-bromo-heptyl)-(4-chloro-benzyl)-carbamic acid tert-butyl ester

4-chlorobenzamide

3-(4-Chloro-3-{[4-([(4-chlorophenyl)methyl]aminocarbonyl)phenyl]ethynyl]phenyl)-1-(3-thiomorpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

4-chlorobenzaldehyde