3-Methyl-1,2-dihydronaphthalene

Base Information

• Chemical Name: 3-Methyl-1,2-dihydronaphthalene
• CAS No.: 2717-44-4
• Molecular Formula: C11H12
• Molecular Weight: 144.216
• European Community (EC) Number: 254-403-3
• UNII: KZ8L2EW37Y
• DSSTox Substance ID: DTXSID30949913
• Nikkaji Number: J80.548C
• Wikidata: Q82927865
• Mol file: 2717-44-4.mol

Synonyms:3-Methyl-1,2-dihydronaphthalene;2717-44-4;2-Methyl-3,4-dihydronaphthalene;1,2-Dihydro-3-methylnaphthalene;Naphthalene, 1,2-dihydro-3-methyl-;KZ8L2EW37Y;3-methyl-1,2-dihydro-naphthalene;UNII-KZ8L2EW37Y;3,4-Dihydro-2-methylnaphthalene;AMY6160;DTXSID30949913;LJMXZKYACOOCMW-UHFFFAOYSA-N;EINECS 254-403-3;CS-0068754;39292-53-0

Chemical Property of 3-Methyl-1,2-dihydronaphthalene

Chemical Property:

• Refractive Index: 1.5751
• Boiling Point: 220.2°Cat760mmHg
• Flash Point: 80.3°C
• PSA: 0.00000
• Density: 0.977g/cm³
• LogP: 3.03610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 144.093900383
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2CC1

Technology Process of 3-Methyl-1,2-dihydronaphthalene

There total 6 articles about 3-Methyl-1,2-dihydronaphthalene 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: 40.0%

4-(2-butenyl)-2-phenyl-1,3,4-oxadiazolin-5-one (74752-47-9) → (Z)-penta-1,3-dien-3-ylbenzene (64035-02-5) + (E)-3-phenyl-1,3-pentadiene (70178-90-4) + 2-methyl-3,4-dihydronaphthalene (2717-44-4)

Guidance literature:

at 700 ℃; under 0.01 Torr; Yields of byproduct given; flash vacuum pyrolysis;

DOI:10.1021/jo01308a031

Reference yield: 40.0%

4-(2-butenyl)-2-phenyl-1,3,4-oxadiazolin-5-one (74752-47-9) → (Z)-penta-1,3-dien-3-ylbenzene (64035-02-5) + (E)-3-phenyl-1,3-pentadiene (70178-90-4) + 2-methyl-3,4-dihydronaphthalene (2717-44-4) + 1-phenyl-3-methylbutadiene (37580-42-0)

Guidance literature:

at 700 ℃; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1021/ja00374a028

Reference yield:

1-phenyl-3-methylbutadiene (37580-42-0) → 2-methyl-3,4-dihydronaphthalene (2717-44-4) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

at 700 ℃;

DOI:10.1021/ja00374a028

upstream raw materials:

1-methyl-1,2-dihydronaphthalene

1-phenyl-3-methylbutadiene

4-(2-butenyl)-2-phenyl-1,3,4-oxadiazolin-5-one

1-iodo-2-(3-methylbut-3-en-1-yl)benzene

Downstream raw materials:

2-Methylnaphthalene

2-(3-oxobutyl)benzaldehyde

1,2,3,4-tetrahydro-2-methylidenenaphthalene

5-Methyl-2,3-benzobicyclo<3.1.0>hex-2-en

Refernces

• 1、 Jin, Youxiang,Yang, Haobo,Wang, Chuan. "Nickel-Catalyzed Reductive Arylalkylation via a Migratory Insertion/Decarboxylative Cross-Coupling Cascade". supporting information. p. 7602 - 7608. Retrieved 2019/10/02.
• 2、 Padwa, Albert,Caruso, Thomas,Nahm, Steven. "Flash Vacuum Pyrolysis of N-Allyl-Substituted 1,3,4-Oxadiazolin-5-ones". . p. 4065 - 4067. Retrieved 2007/10/02.