4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline

Base Information

Chemical Name:4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline
CAS No.:87294-26-6
Molecular Formula:C16H18ClNS
Molecular Weight:291.845
Hs Code.:
DSSTox Substance ID:DTXSID10655863
Wikidata:Q82570197

Synonyms:87294-26-6;4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline;SCHEMBL3033239;DTXSID10655863;HTPCKGPTWMWFOB-UHFFFAOYSA-N;4-(4-tert-butyl-phenylsulfanyl)-3-chloroaniline

Suppliers and Price of 4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline

Supply Marketing:

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

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Chemical Property of 4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline

Chemical Property:

PSA：51.32000
LogP:5.95210
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:291.0848484
Heavy Atom Count:19
Complexity:281

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)N)Cl

Technology Process of 4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline

There total 1 articles about 4-[(4-tert-Butylphenyl)sulfanyl]-3-chloroaniline 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:

: 1238688-56-6
1-(4-tert-butyl-phenylsulfanyl)-2-chloro-4-nitro-benzene

: 87294-26-6
4-(4-tert-butyl-phenylsulfanyl)-3-chloroaniline

Guidance literature:: With ammonium chloride; zinc; In water; acetone; at 0 - 20 ℃; for 3.1667h;

Reference yield:

: 87294-26-6
4-(4-tert-butyl-phenylsulfanyl)-3-chloroaniline

: {2-[4-(4-tert-Butyl-phenylsulfanyl)-3-chloro-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carbonyl}-carbamic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) sodium nitrite, glacial acetic acid, concd. HCl, 2.) aq. acetic acid / 1.) 10 deg C, 15 min, 2.) RT, 1 h

2: sodium acetate, aq. H₂SO₄ / 6 h / Heating

With hydrogenchloride; sulfuric acid; sodium acetate; acetic acid; sodium nitrite;
DOI:10.1021/jm00143a015

Reference yield:

: 87294-26-6
4-(4-tert-butyl-phenylsulfanyl)-3-chloroaniline

: 78983-72-9
2-[4-(4-tert-Butyl-phenylsulfanyl)-3-chloro-phenyl]-2H-[1,2,4]triazine-3,5-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium nitrite, glacial acetic acid, concd. HCl, 2.) aq. acetic acid / 1.) 10 deg C, 15 min, 2.) RT, 1 h

2: sodium acetate, aq. H₂SO₄ / 6 h / Heating

3: aq. HCl / 1 h / Ambient temperature; pH 2.0

4: thioglycolic acid / 3 h / 140 °C

With hydrogenchloride; sulfuric acid; sodium acetate; acetic acid; mercaptoacetic acid; sodium nitrite;
DOI:10.1021/jm00143a015