Methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Base Information

• Chemical Name: Methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
• CAS No.: 785-18-2
• Molecular Formula: C15H20 O2
• Molecular Weight: 232.323
• European Community (EC) Number: 665-816-7
• NSC Number: 97647
• DSSTox Substance ID: DTXSID00294689
• Wikidata: Q82034094
• Mol file: 785-18-2.mol

Synonyms:methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;785-18-2;NSC97647;DTXSID00294689;NSC-97647;AKOS000349060;methyl4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;methyl 4-(5,6,7,8-tetrahydro-2-naphthalenyl)butanoate

Chemical Property of Methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Chemical Property:

• Vapor Pressure: 4.67E-05mmHg at 25°C
• Boiling Point: 349.5°C at 760 mmHg
• Flash Point: 140.1°C
• Density: 1.046g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC1=CC2=C(CCCC2)C=C1

Technology Process of Methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

There total 11 articles about Methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate 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:

4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (785-17-1) → methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (785-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H+, molecular sieves

2: H₂ / Pd/C / acetic acid

With molecular sieve; hydrogen; hydrogen cation; palladium on activated charcoal; In acetic acid;

DOI:10.1016/0021-9614(89)90130-4

Reference yield:

tetralin (119-64-2) → methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (785-18-2)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃, EtNO₂

2: H+, molecular sieves

3: H₂ / Pd/C / acetic acid

With aluminium trichloride; Nitroethane; molecular sieve; hydrogen; hydrogen cation; palladium on activated charcoal; In acetic acid;

DOI:10.1016/0021-9614(89)90130-4

Reference yield:

4-oxo-4-(5,6,7,8-tetrahydro-[2]naphthyl)-butyric acid methyl ester (854678-24-3) → methyl 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (785-18-2) + 4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (782-27-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid;

DOI:10.1016/0021-9614(89)90130-4

upstream raw materials:

methanol

4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

4-oxo-4-(5,6,7,8-tetrahydro-[2]naphthyl)-butyric acid methyl ester

tetralin

Downstream raw materials:

pyrene

phenanthrene

1--6-pentyl-undecan

4-(2-naphthyl)butyric acid

Refernces

• 1、 Chirico, R. D.,Hossenlopp, I. A.,Nguyen, A.,Steele, W. V.,Gammon, B. E.. "The thermodynamic properties of 4-methylphenanthrene". . p. 179 - 202. Retrieved 2007/10/02.