tert-Butyl (2-formyl-6-methoxyphenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-formyl-6-methoxyphenyl)carbamate
• CAS No.: 180690-93-1
• Molecular Formula: C13H17NO4
• Molecular Weight: 251.28
• European Community (EC) Number: 809-147-2
• Mol file: 180690-93-1.mol

Synonyms:180690-93-1;tert-Butyl (2-formyl-6-methoxyphenyl)carbamate;(2-Formyl-6-methoxy-phenyl)-carbamic acid tert-butyl ester;tert-butyl N-(2-formyl-6-methoxyphenyl)carbamate;SCHEMBL2198998;JVLARPBIRYFAFJ-UHFFFAOYSA-N;MFCD11506019;AKOS024238696;SB34443;CS-0341649;tert-Butyl(2-formyl-6-methoxyphenyl)carbamate;(2-Formyl-6-methoxy-phenyl)-carbamic acid t-butyl ester;(2-Formyl-6-methoxy-phenyl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl (2-formyl-6-methoxyphenyl)carbamate

Chemical Property:

• PSA: 64.63000
• LogP: 2.92770
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

≥95% ^*data from raw suppliers

(2-Formyl-6-methoxy-phenyl)-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)NC1=C(C=CC=C1OC)C=O

Technology Process of tert-Butyl (2-formyl-6-methoxyphenyl)carbamate

There total 2 articles about tert-Butyl (2-formyl-6-methoxyphenyl)carbamate 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:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 2-formyl-6-methoxyphenylcarbamate (180690-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 92 percent / tetrahydrofuran / 30 h / Heating

2.1: t-BuLi / diethyl ether; pentane / 3 h / -20 °C

2.2: 85 percent / diethyl ether; pentane / -78 - 20 °C

With tert.-butyl lithium; In tetrahydrofuran; diethyl ether; pentane;

DOI:10.1021/ol016966c

Reference yield:

2-methoxy-phenylamine (90-04-0) → tert-butyl 2-formyl-6-methoxyphenylcarbamate (180690-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 92 percent / tetrahydrofuran / 30 h / Heating

2.1: t-BuLi / diethyl ether; pentane / 3 h / -20 °C

2.2: 85 percent / diethyl ether; pentane / -78 - 20 °C

With tert.-butyl lithium; In tetrahydrofuran; diethyl ether; pentane;

DOI:10.1021/ol016966c

Reference yield: 76.0%

tert.-butyl lithium (594-19-4) + tert-butyl 2-formyl-6-methoxyphenylcarbamate (180690-93-1) → tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)-6-methoxyphenylcarbamate (398136-43-1)

Guidance literature:

In tetrahydrofuran; pentane; at -78 ℃; for 1h;

DOI:10.1021/ol016966c

upstream raw materials:

di-tert-butyl dicarbonate

2-methoxy-phenylamine

Downstream raw materials:

tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)-6-methoxyphenylcarbamate

2-amino-3-neopentylphenol

2-methoxy-6-neopentylaniline

1-(2-amino-3-methoxyphenyl)-2,2-dimethyl-1-propanol

Refernces