tert-Butyl 3-iodobenzylcarbamate

Base Information

• Chemical Name: tert-Butyl 3-iodobenzylcarbamate
• CAS No.: 263351-43-5
• Molecular Formula: C12H16INO2
• Molecular Weight: 333.169
• European Community (EC) Number: 808-764-4
• DSSTox Substance ID: DTXSID00469976
• Nikkaji Number: J1.237.724J
• Wikidata: Q82297925
• Mol file: 263351-43-5.mol

Synonyms:tert-Butyl 3-iodobenzylcarbamate;263351-43-5;(3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER;Tert-butyl N-[(3-iodophenyl)methyl]carbamate;Carbamic acid, N-[(3-iodophenyl)methyl]-, 1,1-dimethylethyl ester;tert-Butyl (3-iodobenzyl)carbamate;tert-Butyl3-iodobenzylcarbamate;SCHEMBL2184472;tert-butyl-3-iodobenzylcarbamate;DTXSID00469976;tert-butyl(3-iodobenzyl)carbamate;JWXVKTCSHBWQRQ-UHFFFAOYSA-N;MFCD09032539;AKOS015964716;DS-9013;SB36280;CS-0341298;FT-0768194;C74363;EN300-6193638;A911521;(3-Iodo-benzyl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl 3-iodobenzylcarbamate

Chemical Property:

• PSA: 38.33000
• LogP: 3.70680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 333.02258
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

95% ^*data from raw suppliers

(3-Iodo-benzyl)-carbamicacidtert-butylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl 3-iodobenzylcarbamate

There total 4 articles about tert-Butyl 3-iodobenzylcarbamate 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) + 3-iodobenzylamine hydrochloride (3718-88-5) → tert-butyl N-[(3-iodophenyl)methyl]carbamate (263351-43-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1.5h;

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-iodobenzylamine (696-40-2) → tert-butyl N-[(3-iodophenyl)methyl]carbamate (263351-43-5)

Guidance literature:

In tetrahydrofuran; tert-butyl alcohol; at 25 ℃; for 1h;

DOI:10.1021/jm401115g

Reference yield: 84.0%

→ tert-butyl N-[(3-iodophenyl)methyl]carbamate (263351-43-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

di-tert-butyl dicarbonate

3-iodobenzylamine hydrochloride

3-iodobenzylamine

C₂₃H₂₁F₁₇INO₃

Downstream raw materials:

C₂₆H₂₄ClIN₂O

C₁₅H₁₂ClN*ClH

C₃₃H₂₈ClN₃O

tert-butyl [3-[5-[[1-(benzyloxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]benzyl]carbamate

Refernces

• 1、 Bavetsias, Vassilios,Faisal, Amir,Crumpler, Simon,Brown, Nathan,Kosmopoulou, Magda,Joshi, Amar,Atrash, Butrus,Pérez-Fuertes, Yolanda,Schmitt, Jessica A.,Boxall, Katherine J.,Burke, Rosemary,Sun, Chongbo,Avery, Sian,Bush, Katherine,Henley, Alan,Raynaud, Florence I.,Workman, Paul,Bayliss, Richard,Linardopoulos, Spiros,Blagg, Julian. "Aurora isoform selectivity: Design and synthesis of imidazo[4,5- B ]pyridine derivatives as highly selective inhibitors of aurora-A kinase in cells". supporting information. p. 9122 - 9135. Retrieved 2014/01/06.
• 2、 Chiasson, Jean-Franois,Boulet, Louise,Brideau, Christine,Chau, Anh,Claveau, David,C?té, Bernard,Ethier, Diane,Giroux, André,Guay, Jocelyne,Guiral, Sébastien,Mancini, Joseph,Massé, Frédéric,Méthot, Nathalie,Riendeau, Denis,Roy, Patrick,Rubin, Joel,Xu, Daigen,Yu, Hongping,Ducharme, Yves,Friesen, Richard W.. "Trisubstituted ureas as potent and selective mPGES-1 inhibitors". scheme or table. p. 1488 - 1492. Retrieved 2011/04/23.