[1-(Biphenyl-4-yl)-2-phenylethyl]malonic acid

Base Information

• Chemical Name: [1-(Biphenyl-4-yl)-2-phenylethyl]malonic acid
• CAS No.: 56181-63-6
• Molecular Formula: C23H20 O4
• Molecular Weight: 360.409
• European Community (EC) Number: 260-032-8
• DSSTox Substance ID: DTXSID20971566
• Nikkaji Number: J296.596H
• Mol file: 56181-63-6.mol

Synonyms:[1-(biphenyl-4-yl)-2-phenylethyl]malonic acid;56181-63-6;(1-(Biphenyl-4-yl)-2-phenylethyl)malonic acid;EINECS 260-032-8;DTXSID20971566;AKOS030239912;C23-H20-O4;[1-([1,1'-Biphenyl]-4-yl)-2-phenylethyl]propanedioic acid;2-[1-(1,1'-Biphenyl-4-yl)-2-phenylethyl]propanedioic acid

Chemical Property of [1-(Biphenyl-4-yl)-2-phenylethyl]malonic acid

Chemical Property:

• Vapor Pressure: 4.36E-12mmHg at 25°C
• Boiling Point: 530.6°Cat760mmHg
• Flash Point: 288.8°C
• PSA: 74.60000
• Density: 1.25g/cm³
• LogP: 4.46530
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 360.13615911
• Heavy Atom Count: 27
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C3=CC=CC=C3)C(C(=O)O)C(=O)O

Technology Process of [1-(Biphenyl-4-yl)-2-phenylethyl]malonic acid

There total 4 articles about [1-(Biphenyl-4-yl)-2-phenylethyl]malonic acid 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:

1-(biphenyl-4-yl)-2-phenylethanone (2001-23-2) → [1-(biphenyl-4-yl)-2-phenylethyl]malonic acid (56181-63-6)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH₄

2: PBr₃

3: (i) NaH, DMF, (ii) /BRN= 2117276/, (iii) aq. NaOH, EtOH

With sodium tetrahydroborate; phosphorus tribromide;

DOI:10.1039/P19760001190

Reference yield:

1-biphenyl-4-yl-2-phenyl-ethanol (31233-64-4) → [1-(biphenyl-4-yl)-2-phenylethyl]malonic acid (56181-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃

2: (i) NaH, DMF, (ii) /BRN= 2117276/, (iii) aq. NaOH, EtOH

With phosphorus tribromide;

DOI:10.1039/P19760001190

Reference yield:

4-(1-bromo-2-phenylethyl)-1,1'-biphenyl (56181-61-4) + diethyl malonate (105-53-3) → [1-(biphenyl-4-yl)-2-phenylethyl]malonic acid (56181-63-6)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 2117276/, (iii) aq. NaOH, EtOH;

DOI:10.1039/P19760001190

upstream raw materials:

4-(1-bromo-2-phenylethyl)-1,1'-biphenyl

diethyl malonate

1-(biphenyl-4-yl)-2-phenylethanone

1-biphenyl-4-yl-2-phenyl-ethanol

Downstream raw materials:

3-(Biphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-one

3-(1,1'-biphenyl)-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene

2-(Biphenyl-4-yl)-1,2-dihydro-naphthalin

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