2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide

Base Information

• Chemical Name: 2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide
• CAS No.: 5316-81-4
• Molecular Formula: C9H8 N2 S2
• Molecular Weight: 208.3
• Hs Code.: 2934100090
• NSC Number: 190469
• DSSTox Substance ID: DTXSID30307231
• Wikidata: Q82054598
• Mol file: 5316-81-4.mol

Synonyms:2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide;NSC190469;CBMicro_017241;Oprea1_033147;Oprea1_277048;DTXSID30307231;CCG-5971;AKOS000201721;NSC-190469;BIM-0016991.P001;SR-01000404424;SR-01000404424-1

Chemical Property of 2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 514.1°C at 760 mmHg
• Flash Point: 264.7°C
• PSA: 38.33000
• Density: 1.554g/cm³
• LogP: 4.19300
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 338.96617
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

3-Amino-4-phenyl-2,3-dihydro-1,3-thiazole-2-thione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)COC2=CC=C(C=C2)Br)Cl

Technology Process of 2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide

There total 10 articles about 2-(4-bromophenoxy)-N-(4-chlorophenyl)acetamide 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: 57.0%

phenacyl hydrazinodithioformate (73798-89-7) → 3-amino-4-phenylthiazoline-2(3H)-thione (5316-81-4)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 3h; Heating;

DOI:10.3987/R-1987-05-1323

Reference yield: 48.0%

phenacyl hydrazinodithioformate (73798-89-7) → 3-amino-4-phenylthiazoline-2(3H)-thione (5316-81-4) + 5-phenyl-3,6-dihydro-1,3,4-thiadiazine-2-thione (73798-94-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 0.5h; Yields of byproduct given; Heating;

Reference yield:

N'-(toluene-4-sulfonyl)-hydrazinecarbodithioic acid 2-oxo-2-phenyl-ethyl ester (71433-33-5) → 3-amino-4-phenylthiazoline-2(3H)-thione (5316-81-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / ethanol

2: aq. H₂SO₄

With hydrogenchloride; sulfuric acid; In ethanol;

upstream raw materials:

5-phenyl-3,4-dihydro-[1,3,4]thiadiazine-2-thione

phenacyl hydrazinodithioformate

3-benzoylamino-4-phenyl-3H-thiazole-2-thione

4-phenyl-3-(toluene-4-sulfonylamino)-3H-thiazole-2-thione

Downstream raw materials:

3-benzylideneamino-4-phenyl-1,3-thiazole-2-thione

3-benzoylamino-4-phenyl-3H-thiazole-2-thione

bis(4-phenylthiazol-2-yl) disulfide

3-Amino-2-benzylthio-4-phenylthiazolium bromide