3-Fluoro-3'-methoxybiphenyl

Base Information

• Chemical Name: 3-Fluoro-3'-methoxybiphenyl
• CAS No.: 80254-68-8
• Molecular Formula: C₁₃H₁₁FO
• Molecular Weight: 202.228
• Hs Code.: 2909309090
• European Community (EC) Number: 675-398-8
• DSSTox Substance ID: DTXSID70374588
• Nikkaji Number: J3.039.931E
• Wikidata: Q82163199
• Mol file: 80254-68-8.mol

Synonyms:3-Fluoro-3'-methoxybiphenyl;80254-68-8;1-fluoro-3-(3-methoxyphenyl)benzene;SCHEMBL15624598;DTXSID70374588;3-Fluoro-3'-methoxy-1,1'-biphenyl;FS-6317;FT-0692164

Chemical Property of 3-Fluoro-3'-methoxybiphenyl

Chemical Property:

• PSA: 9.23000
• LogP: 3.50130
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.079393132
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

3-FLUORO-3'-METHOXYBIPHENYL ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=CC(=CC=C2)F

Technology Process of 3-Fluoro-3'-methoxybiphenyl

There total 4 articles about 3-Fluoro-3'-methoxybiphenyl 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: 93.0%

C8H10FNO3S + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 3'-fluoro-3-methoxybiphenyl (80254-68-8)

Guidance literature:

With morpholine; C₃₁H₄₅Cl₂N₃OPd; caesium carbonate; In water; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c3ob41382a

Reference yield: 89.0%

3-fluorobromobenzene (1073-06-9) + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 3'-fluoro-3-methoxybiphenyl (80254-68-8)

Guidance literature:

3-fluorobromobenzene; 3-methoxyphenylboronic acid; With potassium phosphate; In isopropyl alcohol; at 20 ℃; for 2h; Inert atmosphere;

With Bophos; In isopropyl alcohol; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1021/om200697u

Reference yield:

1,3-Difluorobenzene (372-18-9) + (3-methoxyphenyl)magnesium bromide (36282-40-3) → 3'-fluoro-3-methoxybiphenyl (80254-68-8)

Guidance literature:

(3-methoxyphenyl)magnesium bromide; With titanium(IV) tetraethanolate; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

1,3-Difluorobenzene; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; cobalt(II) chloride; In tetrahydrofuran; at 50 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.6b02354

upstream raw materials:

fluorobenzene

3-methoxy-1-iodobenzene

3-fluorobromobenzene

3-methoxyphenylboronic acid

Downstream raw materials:

1,1'-biphenyl-3'-fluoro-3-ol

Refernces

• 1、 Wang, Zhan-Yong,Ma, Qin-Na,Li, Ren-Hao,Shao, Li-Xiong. "Palladium-catalyzed Suzuki-Miyaura coupling of aryl sulfamates with arylboronic acids". . p. 7899 - 7906. Retrieved 2013/11/19.
• 2、 Mor, Marco,Rivara, Silvia,Lodola, Alessio,Plazzi, Pier Vincenzo,Tarzia, Giorgio,Duranti, Andrea,Tontini, Andrea,Piersanti, Giovanni,Kathuria, Satish,Piomelli, Daniele. "Cyclohexylcarbamic acid 3′- or 4′-substituted biphenyl-3-yl esters as fatty acid amide hydrolase inhibitors: Synthesis, quantitative structure-activity relationships, and molecular modeling studies". . p. 4998 - 5008. Retrieved 2007/10/03.