[1,1'-Biphenyl]-3,5-dicarboxylic acid

Base Information

• Chemical Name: [1,1'-Biphenyl]-3,5-dicarboxylic acid
• CAS No.: 4445-59-4
• Molecular Formula: C₁₄H₁₀O₄
• Molecular Weight: 242.231
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID40458026
• Nikkaji Number: J802.789G
• Wikidata: Q82281148
• Mol file: 4445-59-4.mol

Synonyms:biphenyl-3,5-dicarboxylic acid;H2BPDA compound

Chemical Property of [1,1'-Biphenyl]-3,5-dicarboxylic acid

Chemical Property:

• PSA: 93.06000
• LogP: 3.46720
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

98%,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)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Technology Process of [1,1'-Biphenyl]-3,5-dicarboxylic acid

There total 23 articles about [1,1'-Biphenyl]-3,5-dicarboxylic 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: 97.5%

1,3-dimethyl 5-phenylbenzene-1,3-dicarboxylate (21991-00-4) → [1,1'-biphenyl]-3,5-dicarboxylic acid (4445-59-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water; pH=2; Reflux;

DOI:10.1021/acs.inorgchem.5b01623

Reference yield: 86.0%

3,5-dimethylbiphenyl (17057-88-4) → [1,1'-biphenyl]-3,5-dicarboxylic acid (4445-59-4)

Guidance literature:

With oxygen; hydrogen fluoride; cobalt(II) acetate; manganese(II) acetate; In acetic acid; at 200 ℃; for 0.15h; under 13501.4 Torr;

Reference yield:

C19H21NO5 → [1,1'-biphenyl]-3,5-dicarboxylic acid (4445-59-4)

Guidance literature:

With water; potassium hydroxide; In methanol; for 8h; Reflux;

DOI:10.1016/j.tetlet.2018.09.058

upstream raw materials:

3,5-dibromo-1,1′-biphenyl

benzaldehyde

2-oxo-propionic acid

3,5-dimethylbiphenyl

Refernces

• 1、 Yu, Huangchao,Kraus, George A.. "Divergent pathways to isophthalates and naphthalate esters from methyl coumalate". . p. 4008 - 4010. Retrieved 2018/10/04.
• 2、 Zhao, Dian,Rao, Xingtang,Yu, Jiancan,Cui, Yuanjing,Yang, Yu,Qian, Guodong. "Design and Synthesis of an MOF Thermometer with High Sensitivity in the Physiological Temperature Range". . p. 11193 - 11199. Retrieved 2015/12/17.