Carbazomycin B

Base Information

• Chemical Name: Carbazomycin B
• CAS No.: 75139-38-7
• Molecular Formula: C₁₅H₁₅NO₂
• Molecular Weight: 241.29
• DSSTox Substance ID: DTXSID30226110
• Nikkaji Number: J152.396A
• Wikidata: Q75053371
• Metabolomics Workbench ID: 119053
• Mol file: 75139-38-7.mol

Synonyms:4-hydroxy-3-methoxy-1,2-dimethylcarbazole;carbazomycin B

Chemical Property of Carbazomycin B

Chemical Property:

• Vapor Pressure: 2.28E-09mmHg at 25°C
• Boiling Point: 467.6°C at 760 mmHg
• Flash Point: 236.6°C
• PSA: 45.25000
• Density: 1.263g/cm³
• LogP: 3.65210
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

95% ^*data from raw suppliers

CARBAZOMYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1NC3=CC=CC=C32)O)OC)C

Technology Process of Carbazomycin B

There total 33 articles about Carbazomycin B 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: 99.0%

3-methoxy-1,2-dimethyl-9H-carbazol-4-yl acetate (76306-36-0) → carbazomycin B (75139-38-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 25 ℃; for 1.5h;

DOI:10.1016/S0040-4039(99)01418-5

Reference yield: 98.0%

4-Hydroxy-3-methoxy-1,2-dimethyl-carbazole-9-carboxylic acid tert-butyl ester (123719-44-8) → carbazomycin B (75139-38-7)

Guidance literature:

at 180 - 190 ℃;

Reference yield: 75.0%

methyl 4-acetoxy-3-methoxy-1,2-dimethylcarbazole-9-carboxylate (676331-74-1) → carbazomycin B (75139-38-7)

Guidance literature:

With sodium hydroxide; In methanol; water; at 92 ℃; for 3h;

DOI:10.1016/j.tet.2003.12.015

upstream raw materials:

4-Hydroxy-3-methoxy-1,2-dimethyl-carbazole-9-carboxylic acid tert-butyl ester

3-methoxy-1,2-dimethyl-9H-carbazol-4-yl acetate

4-hydroxy-3-methoxy-9H-carbazole-1,2-dicarboxylic acid 2-methyl ester

methyl 4-acetoxy-3-methoxy-1,2-dimethylcarbazole-9-carboxylate

Downstream raw materials:

carbazomycin A