2,3-Dihydro-1h-inden-2-yl methanesulfonate

Base Information

• Chemical Name: 2,3-Dihydro-1h-inden-2-yl methanesulfonate
• CAS No.: 777-72-0
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• Hs Code.: 2906299090
• European Community (EC) Number: 812-638-4
• NSC Number: 80565
• DSSTox Substance ID: DTXSID90292154
• Wikidata: Q82030348
• Mol file: 777-72-0.mol

Synonyms:2,3-dihydro-1h-inden-2-yl methanesulfonate;777-72-0;NSC80565;2-methylsulphonyloxyindane;methansulfonic acid 2,3-dihydro-1H-inden-2-yl ester;SCHEMBL1415538;DTXSID90292154;CFIDFVNAHVRFGT-UHFFFAOYSA-N;MFCD15143205;NSC-80565;Methanesulfonic acid indan-2-yl ester;AKOS005174058;methanesulfonic acid indane-2-yl ester;LS-04162;2,3-dihydro-1h-inden-2-ylmethanesulfonate;CS-0208053;A915278

Chemical Property of 2,3-Dihydro-1h-inden-2-yl methanesulfonate

Chemical Property:

• Vapor Pressure: 9.27E-06mmHg at 25°C
• Boiling Point: 384.1°Cat760mmHg
• Flash Point: 186.1°C
• PSA: 51.75000
• Density: 1.29g/cm³
• LogP: 2.21080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dihydro-1H-inden-2-yl methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OC1CC2=CC=CC=C2C1

Technology Process of 2,3-Dihydro-1h-inden-2-yl methanesulfonate

There total 3 articles about 2,3-Dihydro-1h-inden-2-yl methanesulfonate 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: 99.0%

indan-2-ol (4254-29-9) → methansulfonic acid 2,3-dihydro-1H-inden-2-yl ester (777-72-0)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield: 98.0%

indan-2-ol (4254-29-9) + methanesulfonyl chloride (124-63-0) → methansulfonic acid 2,3-dihydro-1H-inden-2-yl ester (777-72-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1021/jm800967h

Reference yield:

2-indanone (615-13-4) → methansulfonic acid 2,3-dihydro-1H-inden-2-yl ester (777-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / diethyl ether / 2 h / 0 °C / Schlenk technique; Reflux; Inert atmosphere

2: triethylamine / dichloromethane / 0 - 20 °C / Schlenk technique; Inert atmosphere

With lithium aluminium tetrahydride; triethylamine; In diethyl ether; dichloromethane;

DOI:10.1002/chem.201804504

upstream raw materials:

indan-2-ol

methanesulfonyl chloride

2-indanone

Downstream raw materials:

2,3-dihydro-1H-inden-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-4-methylbenzenesulfonamide

2-indanyl p-methoxyphenyl sulfide

2-indanone

Refernces

• 1、 Xia, Aiyou,Lv, Peizhuo,Xie, Xin,Liu, Yuanhong. "Nickel-Catalyzed Cyanation of Unactivated Alkyl Sulfonates with Zn(CN)2". supporting information. p. 7842 - 7847. Retrieved 2020/11/02.
• 2、 Del Castillo, Estefanía,Martínez, Mario D.,Bosnidou, Alexandra E.,Duhamel, Thomas,O'Broin, Calvin Q.,Zhang, Hongwei,Escudero-Adán, Eduardo C.,Martínez-Belmonte, Marta,Mu?iz, Kilian. "Multiple Halogenation of Aliphatic C?H Bonds within the Hofmann–L?ffler Manifold". supporting information. p. 17225 - 17229. Retrieved 2018/11/10.