4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine

Base Information

Chemical Name:4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine
CAS No.:799764-03-7
Molecular Formula:C11H16BrNS
Molecular Weight:274.225
Hs Code.:
DSSTox Substance ID:DTXSID301250778

Synonyms:4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine;799764-03-7;DTXSID301250778

Suppliers and Price of 4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine

Supply Marketing:

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

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Chemical Property of 4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:273.01868
Heavy Atom Count:14
Complexity:154

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)SCCCCN)Br

Technology Process of 4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine

There total 3 articles about 4-[(2-Bromo-4-methylphenyl)thio]-1-butanamine 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: 74.0%

: 14395-53-0
2-bromo-4-methylbenzenethiol

: 24566-81-2
4-bromo-n-butan-1-amine hydrobromide

: 799764-03-7
4-(2-bromo-4-methylphenylsulfanyl)butylamine

Guidance literature:: 2-bromo-4-methylbenzenethiol; With sodium hydride; In tetrahydrofuran; hexane; at 20 ℃; for 0.5h;

4-bromo-n-butan-1-amine hydrobromide; In tetrahydrofuran; hexane; at 20 ℃; for 6h;
DOI:10.3987/com-04-10169

Reference yield:

2-bromo-p-toluidine: 583-68-6
2-bromo-p-toluidine

: 799764-03-7
4-(2-bromo-4-methylphenylsulfanyl)butylamine

Guidance literature:: Multi-step reaction with 3 steps

1.1: aq. HCl; sodium nitrite / -5 - 0 °C

1.2: H₂O / 2 h / 70 - 78 °C

2.1: KOH / ethanol / 12 h / Heating

3.1: NaH / hexane; tetrahydrofuran / 0.5 h / 20 °C

3.2: 74 percent / hexane; tetrahydrofuran / 6 h / 20 °C

With hydrogenchloride; potassium hydroxide; sodium hydride; sodium nitrite; In tetrahydrofuran; ethanol; hexane;
DOI:10.3987/com-04-10169

Reference yield:

: dithiocarbonic acid S-(2-bromo-4-methyl-phenyl) ester O-ethyl ester

: 799764-03-7
4-(2-bromo-4-methylphenylsulfanyl)butylamine

Guidance literature:: Multi-step reaction with 2 steps

1.1: KOH / ethanol / 12 h / Heating

2.1: NaH / hexane; tetrahydrofuran / 0.5 h / 20 °C

2.2: 74 percent / hexane; tetrahydrofuran / 6 h / 20 °C

With potassium hydroxide; sodium hydride; In tetrahydrofuran; ethanol; hexane;
DOI:10.3987/com-04-10169