tert-Butyl (2-formylphenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-formylphenyl)carbamate
• CAS No.: 74965-38-1
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 675-795-6
• DSSTox Substance ID: DTXSID70461260
• Nikkaji Number: J1.596.450B
• Wikidata: Q82285534
• Mol file: 74965-38-1.mol

Synonyms:74965-38-1;tert-Butyl (2-formylphenyl)carbamate;(2-formyl-phenyl)-carbamic acid tert-butyl ester;Tert-butyl N-(2-formylphenyl)carbamate;2-BOC-AMINO-BENZALDEHYDE;2-(Boc-amino)benzaldehyde;2-Boc-Aminobenzaldehyde;tert-butyl(2-formylphenyl)carbamate;MFCD01861809;SCHEMBL5785123;DTXSID70461260;DHALMIBUKCNMLD-UHFFFAOYSA-N;tert-butyl 2-formylphenylcarbamate;2-(Boc-amino)benzaldehyde, 97%;ZCA96538;AKOS016016275;Tert-Butyl (2-formylphenyl)-carbamate;SB38569;AS-37017;SY238987;CS-0109009;FT-0767608;EN300-199539;A923232;J-524354;Z1505697234

Chemical Property of tert-Butyl (2-formylphenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 57-61°C
• Refractive Index: 1.575
• Boiling Point: 291.7°C at 760 mmHg
• PKA: 13.35±0.70(Predicted)
• Flash Point: 130.2°C
• PSA: 55.40000
• Density: 1.163g/cm³
• LogP: 2.91910
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

(2-Formyl-phenyl)-carbamicAcidTert-butylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1C=O

Technology Process of tert-Butyl (2-formylphenyl)carbamate

There total 16 articles about tert-Butyl (2-formylphenyl)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: 99.0%

2-(tert-butyloxycarbonyl)aminobenzyl alcohol (164226-32-8) → tert-butyl (2-formylphenyl)carbamate (74965-38-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 40 ℃; for 4h;

Reference yield: 83.0%

acetic acid acetoxy-(2-tert-butoxycarbonylamino-phenyl)-methyl ester → tert-butyl (2-formylphenyl)carbamate (74965-38-1)

Guidance literature:

With carbon tetrabromide; In acetonitrile; for 6h; Heating;

DOI:10.1081/SCC-100103542

Reference yield: 81.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-nitro-benzaldehyde (552-89-6) → tert-butyl (2-formylphenyl)carbamate (74965-38-1)

Guidance literature:

With tin; ammonium chloride; In methanol; at 25 ℃; for 5h; Sonication;

DOI:10.1055/s-2002-25338

upstream raw materials:

tert-butyl phenylcarbamate

N,N-dimethyl-formamide

2-(tert-butyloxycarbonyl)aminobenzyl alcohol

di-tert-butyl dicarbonate

Downstream raw materials:

1-(2-N-Boc-aminophenyl)-2-phenylethanol

tert-butyl buta-2,3-dienyl(2-formylphenyl)carbamate

(E)-methyl α-(3-formyl-1H-indol-2-yl)-β-[2-(tert-butoxycarbonyl)aminophenyl]acrylate

methyl 3-[2-(tert-butoxycarbonyl)aminophenyl]-5H-pyrido[4,3-b]indole-4-carboxylate