3,4'-Diisopropylbiphenyl

Base Information

• Chemical Name: 3,4'-Diisopropylbiphenyl
• CAS No.: 61434-46-6
• Deprecated CAS: 873798-69-7
• Molecular Formula: C18H22
• Molecular Weight: 238.373
• Hs Code.: 2902909090
• UNII: GF449RAN44
• DSSTox Substance ID: DTXSID00976993
• Nikkaji Number: J288.012A
• Wikidata: Q27279077
• Mol file: 61434-46-6.mol

Synonyms:3,4'-Diisopropylbiphenyl;61434-46-6;3,4'-Di-iso-propylbiphenyl;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene;3,4'-Diisopropyl-1,1'-biphenyl;GF449RAN44;1,1'-Biphenyl, 3,4'-bis(1-methylethyl)-;UNII-GF449RAN44;4,4'-Di-iso-propylbiphenyl;DTXSID00976993;LHNUPUGVRFQTLK-UHFFFAOYSA-N;1,1'-Biphenyl, 3,4'-diisopropyl;MFCD00043539;3,4'-Diisopropyl-1,1'-biphenyl #;AKOS015838452;3,4'-Di(propan-2-yl)-1,1'-biphenyl;3,4'-bis(propan-2-yl)-1,1'-biphenyl;CS-0454164;FT-0614333;1,1'-Biphenyl, 3,4'-bis-(1-methylethyl);3,4'-BIS(1-METHYLETHYL)-1,1'-BIPHENYL;4-Amino-N-(2-hydroxyethyl)-N-ethylanilineSulfate;Q27279077

Chemical Property of 3,4'-Diisopropylbiphenyl

Chemical Property:

• Boiling Point: 336.1±22.0 °C(Predicted)
• Flash Point: 166oC
• PSA: 0.00000
• Density: 0.935±0.06 g/cm3(Predicted)
• LogP: 5.60040
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 238.172150702
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

98%, ^*data from raw suppliers

3,4''-Di-iso-propylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4'-Diisopropylbiphenyl

There total 10 articles about 3,4'-Diisopropylbiphenyl 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: 57.0%

biphenyl (92-52-4,1594-86-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 4,4' diisopropylbiphenyl (18970-30-4) + 3,4'-di-isopropylbiphenyl (61434-46-6) + 3,3'-di-isopropylbiphenyl (69375-12-8)

Guidance literature:

ammonia; In decalin; at 220 ℃; under 7600.51 Torr; Product distribution / selectivity;

Reference yield: 39.6%

biphenyl (92-52-4,1594-86-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 4-isopropylbiphenyl (7116-95-2) + 4,4' diisopropylbiphenyl (18970-30-4) + 3,4'-di-isopropylbiphenyl (61434-46-6) + m-mono-isopropylbiphenyl (20282-30-8) + 3,3'-di-isopropylbiphenyl (69375-12-8)

Guidance literature:

MOR⁽⁹⁷⁾; In decalin; at 220 ℃; under 7600.51 Torr; Product distribution / selectivity;

Reference yield:

biphenyl (92-52-4,1594-86-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 4-isopropylbiphenyl (7116-95-2) + 4,4' diisopropylbiphenyl (18970-30-4) + 3,4'-di-isopropylbiphenyl (61434-46-6) + m-mono-isopropylbiphenyl (20282-30-8)

Guidance literature:

With cobalt⁽⁵⁾aluminophosphate-5; at 250 ℃; for 4h; under 6000.6 Torr; Autoclave; Inert atmosphere;

DOI:10.1016/j.molcata.2015.11.006

upstream raw materials:

biphenyl

propene

Downstream raw materials:

4,4' diisopropylbiphenyl

3,3'-di-isopropylbiphenyl

Refernces

• 1、 Chokkalingam, Anand,Kawagoe, Hiroaki,Watanabe, Seiji,Moriyama, Yasuhiro,Komura, Kenichi,Kubota, Yoshihiro,Kim, Jong-Ho,Seo, Gon,Vinu, Ajayan,Sugi, Yoshihiro. "Isopropylation of biphenyl over ZSM-12 zeolites". . p. 23 - 30. Retrieved 2013/02/23.
• 2、 Kawagoe, Hiroaki,Komura, Kenichi,Kim, Jong-Ho,Seo, Gon,Sugi, Yoshihiro. "Preparation of [Fe]-SSZ-24 through the isomorphous substitution of [B]-SSZ-24 with iron, and its catalytic properties in the isopropylation of biphenyl". experimental part. p. 1 - 8. Retrieved 2011/12/14.