tert-Butyl 4-formylphenethylcarbamate

Base Information

• Chemical Name: tert-Butyl 4-formylphenethylcarbamate
• CAS No.: 421551-75-9
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.30600
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID30591017
• Wikidata: Q82484661
• Mol file: 421551-75-9.mol

Synonyms:tert-Butyl 4-formylphenethylcarbamate;421551-75-9;4-(2-BOC-AMINO)ETHYL-BENZALDEHYDE;tert-butyl N-[2-(4-formylphenyl)ethyl]carbamate;MFCD20261461;tert-Butyl(4-formylphenethyl)carbamate;SCHEMBL693427;DTXSID30591017;4-(2-Boc-amino)ethylbenzaldehyde;NCVPDGAQMNTPMP-UHFFFAOYSA-N;tert-Butyl4-formylphenethylcarbamate;WRA55175;4-[2-(Boc-amino)ethyl]benzaldehyde;AKOS005264485;tert-butyl (4-formylphenethyl)carbamate;AS-35856;SY240774;DB-371986;tert-butyl 2-(4-formylphenyl)ethylcarbamate;CS-0171921;EN300-170529;tert-butyl [2-(4-formylphenyl)ethyl]carbamate;A913587;[2-(4-formyl-phenyl)-ethyl]-carbamic acid tert-butyl ester

Chemical Property of tert-Butyl 4-formylphenethylcarbamate

Chemical Property:

• PSA: 58.89000
• LogP: 2.77070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)C=O

Technology Process of tert-Butyl 4-formylphenethylcarbamate

There total 12 articles about tert-Butyl 4-formylphenethylcarbamate 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: 88.0%

tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate (421551-76-0) → tert-butyl (4-formylphenethyl)carbamate (421551-75-9)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 22 ℃; for 96h;

DOI:10.1021/jm201734r

Reference yield: 79.0%

potassium (2-(tert-butoxycarbonylamino)ethyl) trifluoroborate salt + 4-bromo-benzaldehyde (1122-91-4) → tert-butyl (4-formylphenethyl)carbamate (421551-75-9)

Guidance literature:

With caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In water; toluene; at 80 ℃; for 12h;

DOI:10.1021/jo7015955

Reference yield: 70.0%

t-butyl 2-(4-bromophenyl)ethylcarbamate (120157-97-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → tert-butyl (4-formylphenethyl)carbamate (421551-75-9)

Guidance literature:

t-butyl 2-(4-bromophenyl)ethylcarbamate; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmc.2017.10.017

upstream raw materials:

4-bromo-benzaldehyde

tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate

methyl 4-[2-(tert-butoxycarbonylamino)ethyl]benzoate

di-tert-butyl dicarbonate

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