N-(tert-Butoxycarbonyl)aniline-13C6

Base Information

Chemical Name:N-(tert-Butoxycarbonyl)aniline-13C6
CAS No.:176850-21-8
Molecular Formula:C513C6H15NO2
Molecular Weight:199
Hs Code.:
DSSTox Substance ID:DTXSID40443710
Wikidata:Q82261626
Mol file:176850-21-8.mol

Synonyms:N-(tert-Butoxycarbonyl)aniline-13C6;176850-21-8;tert-butyl N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)carbamate;N-BOC-aniline-13C6;DTXSID40443710;CS-T-09321

Suppliers and Price of N-(tert-Butoxycarbonyl)aniline-13C6

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-(tert-Butoxycarbonyl)aniline-13C6
5mg
$ 635.00

TRC
N-(tert-Butoxycarbonyl)aniline-13C6
1mg
$ 140.00

Total 4 raw suppliers

Chemical Property of N-(tert-Butoxycarbonyl)aniline-13C6

Chemical Property:

PSA：41.82000
LogP:3.04720
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:199.13040773
Heavy Atom Count:14
Complexity:190

Purity/Quality:

97% ^*data from raw suppliers

N-(tert-Butoxycarbonyl)aniline-13C6 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1=CC=CC=C1
Isomeric SMILES:CC(C)(C)OC(=O)N[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1
Uses Protected, labelled Aniline.

Technology Process of N-(tert-Butoxycarbonyl)aniline-13C6

There total 1 articles about N-(tert-Butoxycarbonyl)aniline-13C6 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: 94.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 100849-37-4
[13C₆]aniline

: 176850-21-8
N-Boc-aniline-[phenyl-13C₆]

Guidance literature:: In tetrahydrofuran; for 3h; Heating;
DOI:10.1002/(SICI)1099-1344(199603)38:3<269::AID-JLCR838>3.0.CO;2-L

Reference yield:

: 176850-21-8
N-Boc-aniline-[phenyl-13C₆]

: 752258-32-5
2-N-Boc-aminophenol-[phenyl-13C₆]

Guidance literature:: N-Boc-aniline-[phenyl-13C₆]; With tert.-butyl lithium; In tetrahydrofuran; at -78 - -20 ℃;

With Trimethyl borate; In tetrahydrofuran; at 20 ℃; for 8h;

With dihydrogen peroxide; In ethanol; water; at 20 ℃; for 2h;
DOI:10.1002/jlcr.792

Reference yield:

: 176850-21-8
N-Boc-aniline-[phenyl-13C₆]

: 335081-06-6
¹³C₆-anthranilic acid

Guidance literature:: Multi-step reaction with 2 steps

1: t-BuLi

2: TFA / CH₂Cl₂

With tert.-butyl lithium; trifluoroacetic acid; In dichloromethane;
DOI:10.1002/jlcr.1293