Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate

Base Information

• Chemical Name: Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate
• CAS No.: 26847-77-8
• Molecular Formula: C16H12 Br2 O2
• Molecular Weight: 396.078
• NSC Number: 141338
• DSSTox Substance ID: DTXSID50301135
• Mol file: 26847-77-8.mol

Synonyms:Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate;26847-77-8;NSC141338;DTXSID50301135;AJQDBWJDAAGAED-UHFFFAOYSA-N;NSC-141338;Methyl 9,10-dibromo-9,10-dihydro-1-phenanthrenecarboxylate #

Chemical Property of Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate

Chemical Property:

• Vapor Pressure: 5.22E-08mmHg at 25°C
• Boiling Point: 442°Cat760mmHg
• Flash Point: 221.1°C
• Density: 1.702g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 395.91836
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC2=C1C(C(C3=CC=CC=C23)Br)Br

Technology Process of Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate

There total 1 articles about Methyl 9,10-dibromo-9,10-dihydrophenanthrene-1-carboxylate 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:

phenanthrene-1-carboxylic acid methyl ester (25308-62-7) → 9,10-Dibromo-9,10-dihydro-phenanthrene-1-carboxylic acid methyl ester (26847-77-8)

Guidance literature:

With bromine; In diethyl ether; chloroform;

DOI:10.1021/jm00296a016

Reference yield:

9,10-Dibromo-9,10-dihydro-phenanthrene-1-carboxylic acid methyl ester (26847-77-8) → 2-Bromo-1-(9-bromo-phenanthren-1-yl)-ethanone (58870-48-7)

Guidance literature:

Multi-step reaction with 6 steps

1: 125 °C

2: aq. KOH / ethanol / Heating

3: SOCl₂ / Heating

5: Br₂ / CHCl₃

6: HBr, AcOH

With potassium hydroxide; thionyl chloride; hydrogen bromide; bromine; acetic acid; In ethanol; chloroform;

DOI:10.1021/jm00296a016

Reference yield:

9,10-Dibromo-9,10-dihydro-phenanthrene-1-carboxylic acid methyl ester (26847-77-8) → 9-Brom-phenanthren-1-carbonsaeure (7473-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 125 °C

2: aq. KOH / ethanol / Heating

With potassium hydroxide; In ethanol;

DOI:10.1021/jm00296a016

upstream raw materials:

phenanthrene-1-carboxylic acid methyl ester

Downstream raw materials:

9-Bromo-phenanthrene-1-carboxylic acid methyl ester

9-Brom-phenanthren-1-carbonsaeure

2-Bromo-1-(9-bromo-phenanthren-1-yl)-ethanone