Ambocarb

Base Information

• Chemical Name: Ambocarb
• CAS No.: 96725-29-0
• Molecular Formula: C₁₈H₁₈N₂O
• Molecular Weight: 278.354
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40242467
• Wikidata: Q83126186
• Mol file: 96725-29-0.mol

Synonyms:4'-oxo-2',2'-dimethyl-3,4-tetramethyleneharman;ambocarb;ambokarb

Chemical Property of Ambocarb

Chemical Property:

• Vapor Pressure: 8.23E-10mmHg at 25°C
• Boiling Point: 491.6°Cat760mmHg
• Flash Point: 248°C
• PSA: 45.75000
• Density: 1.224g/cm³
• LogP: 4.17960
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 278.141913202
• Heavy Atom Count: 21
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C3C(=N1)CCC(C3=O)(C)C)C4=CC=CC=C4N2

Technology Process of Ambocarb

There total 3 articles about Ambocarb 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: 85.0%

3,3,6-Trimethyl-1-oxo-2,3,4,7-tetrahydro-1H-5-oxonia-7-aza-benzo[c]fluorene; perchlorate → 1-oxo-3,3,6-trimethyl-1,2,3,4-tetrahydroindolo<2,3-c>quinoline (96725-29-0)

Guidance literature:

With ammonia; In ethanol; for 0.5h; Heating;

DOI:10.1007/BF00506671

Reference yield:

2-(3'-Indolyl)-dimedone (98208-18-5) → 1-oxo-3,3,6-trimethyl-1,2,3,4-tetrahydroindolo<2,3-c>quinoline (96725-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / 70percent perchloric acid / acetic acid / 2 h / Ambient temperature

2: 85 percent / gaseous ammonia / ethanol / 0.5 h / Heating

With perchloric acid; ammonia; In ethanol; acetic acid;

DOI:10.1007/BF00506671

Reference yield:

→ 1-oxo-3,3,6-trimethyl-1,2,3,4-tetrahydroindolo<2,3-c>quinoline (96725-29-0)

Guidance literature:

upstream raw materials:

2-(3'-Indolyl)-dimedone

Downstream raw materials:

1-Oximino-3,3,6-trimethyl-1,2,3,4-tetrahydroindolo<2,3-c>quinoline hydrochloride

1-Amino-3,3,6-trimethyl-1,2,3,4-tetrahydroindolo<2,3-c>quinoline dihydrochloride