Tert-butyl (4-formylphenyl)carbamate

Base Information

• Chemical Name: Tert-butyl (4-formylphenyl)carbamate
• CAS No.: 144072-30-0
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 687-425-0
• DSSTox Substance ID: DTXSID90378109
• Nikkaji Number: J1.743.881F
• Wikidata: Q82167597
• Mol file: 144072-30-0.mol

Synonyms:144072-30-0;tert-Butyl 4-formylphenylcarbamate;TERT-BUTYL (4-FORMYLPHENYL)CARBAMATE;(4-FORMYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;4-(BOC-AMINO)BENZALDEHYDE;Tert-butyl N-(4-formylphenyl)carbamate;(4-FORMYL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER;MFCD06245541;4-(tert-butoxycarbonylamino)benzaldehyde;Carbamic acid, (4-formylphenyl)-, 1,1-dimethylethyl ester;(4-FORMylphenyl)carbaMIC ACID tert-butyl ESTER;Boc-DL-Phe-ol;SCHEMBL418939;DTXSID90378109;SVQVBAUJEKSBEC-UHFFFAOYSA-N;4-(Boc-amino)benzaldehyde, 96%;CARBAMIC ACID, N-(4-FORMYLPHENYL)-, 1,1-DIMETHYLETHYL ESTER;AKOS005257487;MB03751;AC-25591;DS-12147;SY020348;BB 0263027;CS-0042029;FT-0648394;EN300-226149;(4-Formylphenyl)-carbamic acid tert-butyl ester;N-(4-formylphenyl)carbamic acid tert-butyl ester;J-501411;Z1505715372

Chemical Property of Tert-butyl (4-formylphenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Melting Point: 138-142°C
• Refractive Index: 1.575
• Boiling Point: 297.6°Cat760mmHg
• PKA: 13.39±0.70(Predicted)
• Flash Point: 133.8°C
• PSA: 55.40000
• Density: 1.163g/cm³
• LogP: 2.91910
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

tert-butyl4-formylphenylcarbamate 95%-98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Tert-butyl (4-formylphenyl)carbamate

There total 22 articles about Tert-butyl (4-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%

[4-(diethylcarbamoyl)phenyl]carbamic acid tert-butyl ester → 4-((tert-butoxycarbonyl)amino)benzaldehyde (144072-30-0)

Guidance literature:

With Schwartz's reagent; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

DOI:10.1021/ja066362+

Reference yield: 96.0%

tert-butyl N-(4-cyanophenyl)carbamate (143090-18-0) → 4-((tert-butoxycarbonyl)amino)benzaldehyde (144072-30-0)

Guidance literature:

With hydrogenchloride; diisobutylaluminium hydride; In methanol; CH₂C₁₂; diethyl ether; toluene;

Reference yield: 94.0%

tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate (144072-29-7) → 4-((tert-butoxycarbonyl)amino)benzaldehyde (144072-30-0)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃; for 12h;

DOI:10.1021/jm010313k

upstream raw materials:

tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate

C₁₄H₁₉NO₄

di-tert-butyl dicarbonate

4-aminobenzenemethanol

Downstream raw materials:

ethyl 3-<4-phenyl>propenoate

4-<4-phenyl>-4-hydroxy-1-butyne

[4-(hydroxyiminomethyl)phenyl]carbamic acid tert-butyl ester

diphenyl {[(benzyloxy)carbonyl]amino}[4-(tert-butoxycarbonyl)aminophenyl]methylphosphonate