5-Chloro-1H-indene

Base Information

• Chemical Name: 5-Chloro-1H-indene
• CAS No.: 3970-51-2
• Molecular Formula: C9H7 Cl
• Molecular Weight: 150.608
• DSSTox Substance ID: DTXSID60585782
• Wikidata: Q82477776
• Mol file: 3970-51-2.mol

Synonyms:5-Chloro-1H-indene;3970-51-2;1H-Indene, 5-chloro-;AJUGARINI;SCHEMBL1786889;DTXSID60585782;UYDGBPWSONPHKY-UHFFFAOYSA-N;MFCD08544520;AKOS006291724;AS-36357;CS-0155677;A873587

Chemical Property of 5-Chloro-1H-indene

Chemical Property:

• Vapor Pressure: 0.109mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 228.7°C at 760 mmHg
• Flash Point: 71.5°C
• PSA: 0.00000
• Density: 1.216g/cm³
• LogP: 2.90930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 150.0236279
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

5-Chloro-1H-indene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C1C=CC(=C2)Cl

Technology Process of 5-Chloro-1H-indene

There total 9 articles about 5-Chloro-1H-indene 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: 62.0%

C15H19ClO → 5-chloro-1H-indene (3970-51-2) + acetone (67-64-1)

Guidance literature:

With gold(III) chloride; In 1,2-dichloro-ethane; at 25 ℃; Sealed tube;

DOI:10.1002/chem.201905199

Reference yield: 62.0%

6-chloro-1-indanone (14548-38-0) → 5-chloro-1H-indene (3970-51-2)

Guidance literature:

With toluene-4-sulfonic acid; 2,2-Dimethyl-1,3-propanediol; In toluene; for 9h; Reflux;

DOI:10.3184/030823410X12753214605445

Reference yield: 45.0%

(E)-5-chloro-2-(3-(o-tolyl)allyl)benzaldehyde → 5-chloro-1H-indene (3970-51-2)

Guidance literature:

With 4-phenylphenyl-diphenylmethylium tetrafluoroborate; In dichloromethane; at 20 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1039/C8CC06734A

upstream raw materials:

6-chloroindan-1-ol

6-chloro-1-indanone

2-vinyl-5-chlorobenzaldehyde

2-bromo-5-chlorobenzaldehyde

Downstream raw materials:

7-chloroisoquinoline

(1aS,6aR)-3-chloro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]-indene

2-(5-chloro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-{1-[(2E)-3-(3,5-difluorophenyl)-2-propenoyl]-4-piperidinyl}ethanol

Refernces

• 1、 Pearson, Stuart E.,Fillery, Shaun M.,Goldberg, Kristin,Demeritt, Julie E.,Eden, Jonathan,Finlayson, Jonathan,Patel, Anil. "Synthesis of Indole-Dihydroisoquinoline Sulfonyl Ureas via Three-Component Reactions". . p. 4963 - 4981. Retrieved 2018/12/13.
• 2、 Zhou, Qi,Li, Shichao,Zhang, Yan,Wang, Jianbo. "Rhodium(II)- or Copper(I)-Catalyzed Formal Intramolecular Carbene Insertion into Vinylic C(sp2)?H Bonds: Access to Substituted 1H-Indenes". supporting information. p. 16013 - 16017. Retrieved 2017/11/27.