1,2-Diisopropylbenzene

Base Information

• Chemical Name: 1,2-Diisopropylbenzene
• CAS No.: 577-55-9
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• European Community (EC) Number: 246-835-6,209-412-7
• ICSC Number: 1714
• UN Number: 3082
• UNII: 6E5460R9HG
• DSSTox Substance ID: DTXSID30860336
• Nikkaji Number: J54.882K
• Wikidata: Q27264653
• Metabolomics Workbench ID: 130697
• ChEMBL ID: CHEMBL3188905
• Mol file: 577-55-9.mol

Synonyms:diisopropylbenzene

Chemical Property of 1,2-Diisopropylbenzene

Chemical Property:

• Melting Point: -57°C
• Refractive Index: 1.4960
• Boiling Point: 204°C
• PSA: 0.00000
• Density: 0.8701
• LogP: 3.93340
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CC(C)C1=CC=CC=C1C(C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.
• Effects of Short Term Exposure: Exposure at high levels could cause lowering of consciousness.

Technology Process of 1,2-Diisopropylbenzene

There total 41 articles about 1,2-Diisopropylbenzene 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: 14.6%

(Z)-2-Butene (590-18-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + propane (74-98-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isopropylbenzene (98-82-8) + 1,4-bis(1-methylethyl)benzene (100-18-5) + 1,3-diisopropylbenzene (99-62-7) + 1,2-diisopropylbenzene (577-55-9)

Guidance literature:

specimen (II); at 40 ℃; Product distribution;

Reference yield: 14.0%

(Z)-2-Butene (590-18-1) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + propane (74-98-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isopropylbenzene (98-82-8) + 1,4-bis(1-methylethyl)benzene (100-18-5) + 1,3-diisopropylbenzene (99-62-7) + 1,2,4-triisopropylbenzene (948-32-3) + 1,2-diisopropylbenzene (577-55-9)

Guidance literature:

specimen (I); at 40 ℃; Product distribution;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + isopropyl chloride (75-29-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isopropylbenzene (98-82-8) + 1,4-bis(1-methylethyl)benzene (100-18-5) + 1,3-diisopropylbenzene (99-62-7) + 1,2-diisopropylbenzene (577-55-9)

Guidance literature:

silica-alumina or zeolite Al silicate; at 25 - 65 ℃; for 5h; Mechanism; Product distribution; Irradiation; the reaction was studied also without irradiation;

upstream raw materials:

2-[2-(1-hydroxy-1-methylethyl)phenyl]-2-propanol

isopropylmagnesium chloride

1,2-dichloro-benzene

(Z)-2-Butene

Downstream raw materials:

3,4-diisopropylnitrobenzene

Isopropylbenzene

ethylbenzene

phenylpropane

Refernces

• 1、 Zhang, Yunjuan,Luo, Peng,Xu, Hao,Han, Lu,Wu, Peng,Sun, Huai,Che, Shunai. "Hierarchical MFI Zeolites with a Single-Crystalline Sponge-Like Mesostructure". supporting information. p. 19300 - 19308. Retrieved 2018/11/27.
• 2、 Shi, Zongbo,Guan, Yejun,Wu, Peng,He, Mingyuan. "A mesoporous aluminosilicate prepared by simply coating fibrous γ-AlOOH on the external surface of SBA-15 for catalytic hydrocarbon cracking". . p. 40296 - 40303. Retrieved 2016/05/24.