tert-Butyl (4-methoxyphenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-methoxyphenyl)carbamate
• CAS No.: 18437-68-8
• Molecular Formula: C12H17 N O3
• Molecular Weight: 223.272
• Hs Code.: 2924299090
• European Community (EC) Number: 803-319-0
• DSSTox Substance ID: DTXSID90372420
• Nikkaji Number: J432.131F
• Wikidata: Q82160125
• Mol file: 18437-68-8.mol

Synonyms:18437-68-8;tert-Butyl (4-methoxyphenyl)carbamate;tert-Butyl-4-methoxycarbanilate;tert-butyl N-(4-methoxyphenyl)carbamate;tert-butyl 4-methoxyphenylcarbamate;N-Boc-4-methoxyaniline;t-Butyl (4-methoxy-phenyl)-carbamate;tert-Butyl(4-methoxyphenyl)carbamate;Maybridge1_008097;N-tert-butoxycarbonyl-anisidine;SCHEMBL1342005;N-Boc-4-methoxyaniline, 97%;tert-Butyl 4-Methoxycarbanilate;HMS564I01;DTXSID90372420;t-butyl (4-methoxyphenyl)carbamate;AB6724;MFCD00816766;AKOS003477484;AM86710;CCG-245246;tert-Butyl (4-Methoxy phenyl) Carbamate;AC-13642;AS-60643;N-(tert-Butyloxycarbonyl)-4-methoxyaniline;CS-0038620;FT-0637696;A849983;J-011817;J-524715

Chemical Property of tert-Butyl (4-methoxyphenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00424mmHg at 25°C
• Melting Point: 93-98°C
• Refractive Index: 1.532
• Boiling Point: 278.5°Cat760mmHg
• Flash Point: 122.3°C
• PSA: 47.56000
• Density: 1.102g/cm³
• LogP: 3.11520
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl-4-methoxycarbanilate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)OC

Technology Process of tert-Butyl (4-methoxyphenyl)carbamate

There total 26 articles about tert-Butyl (4-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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-methoxy-aniline (104-94-9) → tert-butyl N-(4-methoxyphenyl)carbamate (18437-68-8)

Guidance literature:

With indium(III) bromide; at 30 - 35 ℃; for 0.0833333h;

DOI:10.1055/s-2006-942492

Reference yield: 99.0%

1-bromo-4-methoxy-benzene (104-92-7) + tert-butyl carbazate (4248-19-5) → tert-butyl N-(4-methoxyphenyl)carbamate (18437-68-8)

Guidance literature:

With ?di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; bis(η3-allyl-μ-chloropalladium(II)); sodium t-butanolate; In water; at 50 ℃; for 24h; Inert atmosphere; Green chemistry;

DOI:10.1039/c3gc42188k

Reference yield: 98.0%

para-methoxynitrobenzene (100-17-4) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-(4-methoxyphenyl)carbamate (18437-68-8)

Guidance literature:

para-methoxynitrobenzene; With sodium tetrahydroborate; In water; at 20 ℃; for 0.5h; Green chemistry;

di-tert-butyl dicarbonate; In water; at 20 ℃; for 1.33333h; Green chemistry;

DOI:10.1039/C8RA10212K

upstream raw materials:

di-tert-butyl dicarbonate

4-methoxy-aniline

1-bromo-4-methoxy-benzene

tert-butyl carbazate

Downstream raw materials:

N-tert-butoxycarbonyl-4-methoxy-2-(3,3-dimethylallyl)aniline

6-Methoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester

tert-butyl 4-methoxy-2-(3-methoxy-10-methyl-1-oxo-1,10-dihydroacridin-9-yl)phenylcarbamate

7-benzyloxy-12-methoxy-5-methyl-5H-quino<2,3,4-kl>acridine

Refernces

• 1、 Garad, Dnyaneshwar N.,Ingale, Ajit P.,Shinde, Sandeep V.,Ukale, Dattatraya. "Nanoceria as an efficient and green catalyst for the chemoselective N-tert-butyloxycarbonylation of amines under the solvent-free conditions". supporting information. p. 1656 - 1668. Retrieved 2021/04/05.
• 2、 Ingale, Ajit P.,Garad, Dnyaneshwar N.,Ukale, Dattatraya,Thorat, Nitin M.,Shinde, Sandeep V.. "Thiamine hydrochloride as a recyclable organocatalyst for the efficient and chemoselective N-tert-butyloxycarbonylation of amines". supporting information. p. 3791 - 3804. Retrieved 2021/11/04.