5-Chloro-2-Tetralone

Base Information

• Chemical Name: 5-Chloro-2-Tetralone
• CAS No.: 69739-64-6
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.63
• Hs Code.: 2914390090
• DSSTox Substance ID: DTXSID80393664
• Nikkaji Number: J1.931.378F
• Wikidata: Q72459720
• Mol file: 69739-64-6.mol

Synonyms:5-Chloro-2-Tetralone;69739-64-6;5-chloro-3,4-dihydro-1H-naphthalen-2-one;5-Chloro-3,4-dihydronaphthalen-2(1H)-one;5-CHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE;SCHEMBL4601564;DTXSID80393664;AWOCGXZKCTYRCP-UHFFFAOYSA-N;CS-B0108;AM9421;MFCD04038574;AKOS006294389;AB17118;s11508;AS-64760;FT-0652743;1,2,3,4-Tetrahydro-5-chloronaphthalene-2-one;A836627;J-517334

Chemical Property of 5-Chloro-2-Tetralone

Chemical Property:

• Vapor Pressure: 0.000489mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 313.7 °C at 760 mmHg
• Flash Point: 148.7 °C
• PSA: 17.07000
• Density: 1.248g/cm³
• LogP: 2.39780
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

5-Chloro-2-tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(CC1=O)C=CC=C2Cl

Technology Process of 5-Chloro-2-Tetralone

There total 1 articles about 5-Chloro-2-Tetralone 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:

ethene (74-85-1) + 3-chloro-benzeneacetyl chloride (41904-39-6) → 5-chloro-3,4-dihydro-1H-naphthalen-2-one (69739-64-6) + 7-chloro-3,4-dihydro-2(1H)-naphthalenone (17556-19-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0223-5234(93)90028-D

Reference yield: 74.0%

5-chloro-3,4-dihydro-1H-naphthalen-2-one (69739-64-6) + 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (1021-25-6) → 8-(5-chloro-1,2,3,4-tetrahydro-2-naphthyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:

5-chloro-3,4-dihydro-1H-naphthalen-2-one; 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one; With 4 A molecular sieve; In toluene; Heating;

With hydrogenchloride; sodium cyanoborohydride; In tetrahydrofuran; ethanol; at 20 ℃; for 16h; pH=4.5; Further stages.;

DOI:10.1021/jm991129q

Reference yield:

5-chloro-3,4-dihydro-1H-naphthalen-2-one (69739-64-6) → 5-Chloro-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH(OAc)3 / 1,2-dichloro-ethane

2: NaBH(OAc)3 / 1,2-dichloro-ethane

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane;

DOI:10.1016/S0960-894X(97)00350-8

upstream raw materials:

ethene

3-chloro-benzeneacetyl chloride

Downstream raw materials:

1-benzyl-5-chloro-3,4-dihydro-1H-naphthalen-2-one

Refernces

• 1、 Youngman, Mark A.,Willard, Nicole M.,Dax, Scott L.,McNally, James J.. "The synthesis of novel cis-α-substituted-β-aminotetralins". . p. 2215 - 2227. Retrieved 2007/10/03.