Methyl 4-[(e)-phenyldiazenyl]benzoate

Base Information

• Chemical Name: Methyl 4-[(e)-phenyldiazenyl]benzoate
• CAS No.: 2918-88-9
• Molecular Formula: C14H12 N2 O2
• Molecular Weight: 240.261
• Hs Code.: 2927000090
• European Community (EC) Number: 660-246-5
• NSC Number: 118657
• DSSTox Substance ID: DTXSID60297858
• Nikkaji Number: J1.632.803K,J47.545I,J2.038.560J
• ChEMBL ID: CHEMBL1523036
• Mol file: 2918-88-9.mol

Synonyms:2918-88-9;MLS001005712;4-phenylazobenzoic acid methyl ester;SMR000348913;methyl 4-[(e)-phenyldiazenyl]benzoate;methyl 4-phenyldiazenylbenzoate;NSC118657;cid_273419;SCHEMBL1405345;CHEMBL1523036;BDBM76557;DTXSID60297858;HMS2724F22;METHYL 4-(PHENYLAZO)BENZOATE;4-Phenylazo-benzoic acid methyl ester;AKOS001022175;4-(Phenylazo)benzoic acid methyl ester;NSC-118657;4-phenyldiazenylbenzoic acid methyl ester;(E)-Azobenzene-4-carboxylic acid methyl ester;(Z)-Azobenzene-4-carboxylic acid methyl ester;Z56754676

Chemical Property of Methyl 4-[(e)-phenyldiazenyl]benzoate

Chemical Property:

• Vapor Pressure: 4.84E-06mmHg at 25°C
• Boiling Point: 382.1°C at 760 mmHg
• Flash Point: 174.5°C
• PSA: 51.02000
• Density: 1.12g/cm³
• LogP: 3.88860
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 240.089877630
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2

Technology Process of Methyl 4-[(e)-phenyldiazenyl]benzoate

There total 8 articles about Methyl 4-[(e)-phenyldiazenyl]benzoate 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:

4-(2-phenylhydrazino)benzoic acid methyl ester (137720-88-8) → methyl-4-(phenyldiazenyl)benzoate (2918-88-9)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In ethanol; at 60 ℃; for 15h; Green chemistry;

DOI:10.1039/d0ob00103a

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-(2-phenyldiazen-1-yl)benzoic acid (1562-93-2) → methyl-4-(phenyldiazenyl)benzoate (2918-88-9)

Guidance literature:

In diethyl ether;

DOI:10.1002/mrc.1260270612

Reference yield:

methanol (67-56-1) + 4-Benzolazo-benzoyl-malonsaeurediethylester (3517-24-6) → methyl-4-(phenyldiazenyl)benzoate (2918-88-9)

Guidance literature:

With sodium tetrahydroborate;

upstream raw materials:

methanol

4-Benzolazo-benzoyl-malonsaeurediethylester

diazomethane

4-(2-phenyldiazen-1-yl)benzoic acid

Downstream raw materials:

1-t-butyl-2-(4-methoxycarbonylphenyl)-1-phenylhydrazine

1-t-butyl-1-(4-methoxycarbonylphenyl)-2-phenylhydrazine

4-(2-phenylhydrazino)benzoic acid methyl ester

methyl 2-phenyl-2H-benzo[d][1,2,3]triazole-5-carboxylate

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