N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester

Base Information

Chemical Name:N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester
CAS No.:226065-32-3
Molecular Formula:C12H15N3O2
Molecular Weight:233.27
Hs Code.:
DSSTox Substance ID:DTXSID10459469
Nikkaji Number:J1.109.147D
Wikidata:Q82283244
Mol file:226065-32-3.mol

Synonyms:N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester;226065-32-3;SCHEMBL3868314;DTXSID10459469;RYBYYDFXTZLPJJ-UHFFFAOYSA-N;N-(4-Cyanophenyl)carbazic acid tert-butyl ester;tert-butyl 1-(4-cyanophenyl)hydrazinecarboxylate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:233.116426730
Heavy Atom Count:17
Complexity:318

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N(C1=CC=C(C=C1)C#N)N

Technology Process of N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester

There total 4 articles about N-(4-Cyano-phenyl)-hydrazinecarboxylic Acid tert-butyl Ester 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: 81.0%

: 870-46-2
t-butoxycarbonylhydrazine

: 623-00-7
4-bromobenzenecarbonitrile

: 226065-32-3
tert-butyl 1-(4-cyanophenyl)hydrazine-1-carboxylate

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; caesium carbonate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 100 ℃; for 16h;
DOI:10.1016/S0040-4039(99)00561-4

Reference yield: 78.0%

: 870-46-2
t-butoxycarbonylhydrazine

: 3058-39-7
4-iodobenzonitrile

: 226065-32-3
tert-butyl 1-(4-cyanophenyl)hydrazine-1-carboxylate

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h;
DOI:10.1021/ol0168216

Reference yield:

: 623-03-0
4-Cyanochlorobenzene

: 870-46-2
t-butoxycarbonylhydrazine

: 848153-28-6
N'-(4-cyanophenyl)hydrazinecarboxylic acid tert-butyl ester

: 226065-32-3
tert-butyl 1-(4-cyanophenyl)hydrazine-1-carboxylate

Guidance literature:: With nickel(II) bromide trihydrate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 120 ℃; for 0.166667h; Irradiation; Flow reactor;
DOI:10.1039/d0cc06787c