2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid

Base Information

• Chemical Name: 2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid
• CAS No.: 776-50-1
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.242
• NSC Number: 31628,28947
• DSSTox Substance ID: DTXSID40998811
• Mol file: 776-50-1.mol

Synonyms:776-50-1;2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid;1-Naphthaleneacetic acid, 5,6,7,8-tetrahydro-;NSC31628;SCHEMBL3408719;DTXSID40998811;HBYIJKKZLCCVML-UHFFFAOYSA-N;NSC28947;NSC-28947;NSC-31628;AKOS004906849;5,6,7,8-tetrahydronaphthalen-1-ylacetic acid;EN300-1590340;(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid

Chemical Property of 2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Boiling Point: 344.2°C at 760 mmHg
• Flash Point: 241.1°C
• PSA: 37.30000
• Density: 1.162g/cm³
• LogP: 2.19250
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99%min ^*data from raw suppliers

2-(5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2CC(=O)O

Technology Process of 2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid

There total 10 articles about 2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid 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: 82.0%

2-(5,6,7,8-tetrahydronaphthalene-1-yl)acetonitrile (3160-17-6) → (1,2,3,4-tetrahydro-5-naphthyl)acetic acid (776-50-1)

Guidance literature:

With sodium hydroxide; for 8h; Heating;

Reference yield:

naphth-1-yl acetic acid (86-87-3) → (1,2,3,4-tetrahydro-5-naphthyl)acetic acid (776-50-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; under 1551.4 Torr;

DOI:10.1021/jm00197a011

Reference yield:

tetralin (119-64-2) → (1,2,3,4-tetrahydro-5-naphthyl)acetic acid (776-50-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) conc. HCl, conc. H₂SO₄, 2.) glacial AcOH, AcONa*3H₂O, 3.) 4M NaOH, 4.) pyridinium dichromate, silica gel

2: 79 percent / sodium borohydride / ethanol / 1.5 h

3: 100 percent / SOCl₂ / toluene / 2 h

4: dimethylsulfoxide / 3 h

5: 82 percent / 4M NaOH / 8 h / Heating

With hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; dipyridinium dichromate; thionyl chloride; sulfuric acid; sodium acetate; silica gel; acetic acid; In ethanol; dimethyl sulfoxide; toluene;

upstream raw materials:

2-(5,6,7,8-tetrahydronaphthalene-1-yl)acetonitrile

naphth-1-yl acetic acid

ethyl 2-(1-naphthyl)acetate

ethanol

Downstream raw materials:

Thenaphtoxaline

C₅₁H₅₄O₆

3-phenyl-2-(5,6,7,8-tetrahydro-[1]naphthyl)-acrylic acid

Refernces

• 1、 Horn Jensen, Eva,Nielsen, Per Halfdan. "SYNTHESIS OF TRICYCLIC BENZAZEPINES AND THEIR DOPAMINE D1- AND D2-AFFINITY". . p. 2441 - 2458. Retrieved 2007/10/03.