7H-Benzocyclohepten-7-one, 6-methyl-

Base Information

• Chemical Name: 7H-Benzocyclohepten-7-one, 6-methyl-
• CAS No.: 4900-73-6
• Molecular Formula: C₁₂H₁₀O
• Molecular Weight: 170.211
• DSSTox Substance ID: DTXSID40197665
• Mol file: 4900-73-6.mol

Synonyms:7H-Benzocyclohepten-7-one, 6-methyl-;4900-73-6;DTXSID40197665;7H-Benzocyclohepten-7-one,6-methyl-;AKOS004907135

Chemical Property of 7H-Benzocyclohepten-7-one, 6-methyl-

Chemical Property:

• Vapor Pressure: 0.000239mmHg at 25°C
• Boiling Point: 324.9°C at 760 mmHg
• Flash Point: 141.5°C
• PSA: 17.07000
• Density: 1.097g/cm³
• LogP: 2.50840
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.073164938
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C=CC1=O

Technology Process of 7H-Benzocyclohepten-7-one, 6-methyl-

There total 5 articles about 7H-Benzocyclohepten-7-one, 6-methyl- 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: 71.0%

butanone (78-93-3) + o-phthalic dicarboxaldehyde (643-79-8) → 2-Methyl-4,5-benzotropon (4900-73-6)

Guidance literature:

With sodium hydroxide; In water; at 0 ℃;

DOI:10.1021/ja00218a069

Reference yield:

6-Methyl-6,7-dihydro-5H-benzocyclohepten (22851-70-3) → 2-Methyl-4,5-benzotropon (4900-73-6)

Guidance literature:

With pyridine; selenium(IV) oxide; Heating;

DOI:10.1039/jr9620003629

Reference yield:

8-methyl-6,7,8,9-tetrahydro-benzocyclohepten-5-one (39665-88-8) → 2-Methyl-4,5-benzotropon (4900-73-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaBH₄, (ii) naphthalene-2-sulfonic acid

2: SeO₂, Py / Heating

With pyridine; selenium(IV) oxide;

DOI:10.1039/jr9620003629

upstream raw materials:

butanone

o-phthalic dicarboxaldehyde

6-Methyl-6,7-dihydro-5H-benzocyclohepten

8-methyl-6,7,8,9-tetrahydro-benzocyclohepten-5-one