Tert-butyl N-anilinocarbamate

Base Information

• Chemical Name: Tert-butyl N-anilinocarbamate
• CAS No.: 42116-43-8
• Molecular Formula: C11H16N2O2
• Molecular Weight: 208.26
• Hs Code.: 2928000090
• European Community (EC) Number: 803-984-7
• DSSTox Substance ID: DTXSID30395633
• Nikkaji Number: J1.801.303G
• Wikidata: Q82195821
• Mol file: 42116-43-8.mol

Synonyms:42116-43-8;Tert-butyl N-anilinocarbamate;1-(TERT-BUTOXYCARBONYL)-2-PHENYLHYDRAZINE;tert-Butyl 2-phenylhydrazinecarboxylate;N'-phenyl(tert-butoxy)carbohydrazide;1-Boc-2-phenylhydrazine;tert-Butyl 3-Phenylcarbazate;SCHEMBL4254852;1-Boc-2-phenylhydrazine, 97%;DTXSID30395633;PYEQNXVGJRAEIG-UHFFFAOYSA-N;AB2716;MFCD00958589;tert-Butyl2-phenylhydrazinecarboxylate;AKOS016023932;3-Phenylcarbazic acid tert-butyl ester;SB86192;1-tert-butoxycarbonyl-2-phenyl hydrazine;Tert-butyl-2-phenylhydrazin-1-carboxylat;BS-27983;CS-0213217;EN300-313278;A825770

Chemical Property of Tert-butyl N-anilinocarbamate

Chemical Property:

• Melting Point: 90-94°C
• PSA: 50.36000
• LogP: 3.00210
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Boc-2-phenylhydrazine 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NNC1=CC=CC=C1

Technology Process of Tert-butyl N-anilinocarbamate

There total 13 articles about Tert-butyl N-anilinocarbamate 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: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + phenylhydrazine (100-63-0) → tert-butyl 2-phenylhydrazine-1-carboxylate (42116-43-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 15h;

DOI:10.1039/c6cc04626f

Reference yield: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + phenylhydrazine hydrochloride (59-88-1) → tert-butyl 2-phenylhydrazine-1-carboxylate (42116-43-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1039/c6nj03718f

Reference yield: 90.0%

tert-butyldicarbonate (34619-03-9) + phenylhydrazine (100-63-0) → tert-butyl 2-phenylhydrazine-1-carboxylate (42116-43-8)

Guidance literature:

In dichloromethane; at 50 ℃;

DOI:10.1021/acs.orglett.5b02180

upstream raw materials:

N-(tert-butyloxycarbonyl) azide

phenylhydrazine

tert-butyl cyanoformate

di-tert-butyl dicarbonate

Downstream raw materials:

N-benzoyl-N-phenyl-N'-tert-butoxycarbonyl hydrazine

2,2-Bis(t-butyloxycarbonyl)-1-phenylhydrazine

1,1,2-tris(tert-butoxycarbonyl)-2-phenylhydrazine

N'-phenyl-N-(4-nitro-phenyl)hydrazinecarboxylic acid tert-butyl ester

Refernces

• 1、 Ingale, Ajit P.,Shinde, Sandeep V.,Thorat, Nitin M.. "Sulfated tungstate: A highly efficient, recyclable and ecofriendly catalyst for chemoselective N-tert butyloxycarbonylation of amines under the solvent-free conditions". supporting information. p. 2528 - 2543. Retrieved 2021/07/02.
• 2、 Du, Wanting,Ma, Zichao,Shao, Liming,Wang, Jian. "Hydrogen peroxide based oxidation of hydrazines using HBr catalyst". . . Retrieved 2021/11/18.