3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE

Base Information

• Chemical Name: 3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE
• CAS No.: 39222-69-0
• Molecular Formula: C14H18 N2 O
• Molecular Weight: 230.31
• Hs Code.: 2922390090
• Mol file: 39222-69-0.mol

Synonyms:3-((2-AMINOPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE;3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE;TIMTEC-BB SBB011617

Chemical Property of 3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE

Chemical Property:

• Vapor Pressure: 7.41E-06mmHg at 25°C
• Melting Point: 176-177 °C
• Boiling Point: 376.1°Cat760mmHg
• PKA: 5.35±0.10(Predicted)
• Flash Point: 181.3°C
• PSA: 55.12000
• Density: 1.152g/cm³
• LogP: 3.60790
• Storage Temp.: 2-8°C

Purity/Quality:

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

3-(2-Amino-phenylamino)-5,5-dimethyl-cyclohex-2-enone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE

There total 4 articles about 3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE 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: 51.0%

1,2-diamino-benzene (95-54-5) + 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxo-4-phenylbutanoic acid (207619-70-3) → 3-[(2-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (39222-69-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 1.5h; Reflux;

DOI:10.1134/S1070428011030146

Reference yield:

dimedone (126-81-8) + 1,2-diamino-benzene (95-54-5) → 3-[(2-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (39222-69-0)

Guidance literature:

In toluene; Heating / reflux; dean-stark trap;

Reference yield:

dimedone (3471-13-4) + 1,2-diamino-benzene (95-54-5) → 3-[(2-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (39222-69-0)

Guidance literature:

With acetic acid; In isopropyl alcohol; for 0.666667h; Heating;

DOI:10.1007/s10593-005-0098-3

upstream raw materials:

dimedone

1,2-diamino-benzene

dimedone

2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxo-4-phenylbutanoic acid

Downstream raw materials:

3-(2-benzoylaminoanilino)-5,5-dimethyl-2-cyclohexen-1-one

3-(2-methylthiobenzimidazo-1-yl)-5,5-dimethyl-2-cyclohexen-1-one

methyl 3-(2-aminophenyl)amino-5,5-dimethyl-1-oxo-2-cyclohexene-2-dithiocarboxylate

N-[2-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-phenyl]-2-fluoro-benzamide