(S)-(+)-1-Iodo-2-methylbutane

Base Information

• Chemical Name: (S)-(+)-1-Iodo-2-methylbutane
• CAS No.: 29394-58-9
• Molecular Formula: C5H11I
• Molecular Weight: 198.047
• Hs Code.: 29033990
• European Community (EC) Number: 626-591-0
• Nikkaji Number: J57.204G
• Mol file: 29394-58-9.mol

Synonyms:(s)-1-iodo-2-methylbutane;(2S)-1-iodo-2-methylbutane;29394-58-9;(S)-(+)-1-Iodo-2-methylbutane;(S)-1-iodo-2-methyl-butane;(S)-2-methylbutyliodide;SCHEMBL159563;RHBHXHXNWHTGSO-YFKPBYRVSA-N;Butane,1-iodo-2-methyl-,(2S)-;AKOS015912869;EN300-218250;J-802034;(S)-(+)-1-Iodo-2-methylbutane, contains copper as stabilizer, 99%

Chemical Property of (S)-(+)-1-Iodo-2-methylbutane

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 5.82mmHg at 25°C
• Melting Point: -85.6°C (estimate)
• Refractive Index: n20/D 1.497(lit.)
• Boiling Point: 146.6 °C at 760 mmHg
• Flash Point: 42.8 °C
• PSA: 0.00000
• Density: 1.52 g/cm³
• LogP: 2.46750
• Storage Temp.: Flammables area
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 197.99055
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)?-?(+)?-?1-?Iodo-?2-?methylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38-53
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)CI
• Isomeric SMILES: CC[C@H](C)CI
• Uses: (S)-(+)-1-Iodo-2-methylbutane may be used in the synthesis of 4′-trimethylenebis(1-methyl-1-(2-methylbutyl)piperidinium) cation (TMBP2+), to be used as a structure-directing agent (SDA) during the synthesis of high-silica porous silicates. It may also be used in the synthesis of C6 acyl side chain of zaragozic acid A.

Technology Process of (S)-(+)-1-Iodo-2-methylbutane

There total 7 articles about (S)-(+)-1-Iodo-2-methylbutane 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: 91.0%

(S)-2-methylbutyl bromide (534-00-9) → (S)-1-iodo-2-methyl-butane (29394-58-9)

Guidance literature:

With sodium iodide; In acetone; 1) 1 h, 25 deg C, 2) 3 h, reflux;

DOI:10.1021/jo00295a023

Reference yield: 89.0%

(S)-2-methylbutyl tosylate (38261-81-3) → (S)-1-iodo-2-methyl-butane (29394-58-9)

Guidance literature:

With sodium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

DOI:10.1016/j.tet.2010.10.086

Reference yield: 83.0%

(2S)-2-methyl-1-butanol (1565-80-6) → (S)-1-iodo-2-methyl-butane (29394-58-9)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201402524

upstream raw materials:

(2S)-2-methyl-1-butanol

(S)-2-methylbutyl bromide

(S)-2-methylbutyl tosylate

(S)-2-Methylbutyl tetrahydropyranyl ether

Downstream raw materials:

(S)-(+)-3-Methyl-1-phenyl-1-pentanon

o-(S)-(2-methylbutoxy)phenyl bromide

(2RS,4S)-(+)-2,4-dimethylhexanoic acid

((3S,13R)-3,13-Dimethyl-heptadecane-5-sulfonyl)-benzene

Refernces

• 1、 Lee, Jong Seok,Shin, Junho,Shin, Hee Jae,Lee, Hwa-Sun,Lee, Yeon-Ju,Lee, Hyi-Seung,Won, Hoshik. "Total synthesis and configurational validation of (+)-violapyrone C". supporting information. p. 4472 - 4476. Retrieved 2014/08/05.
• 2、 Richman, Jack E.. "Salts of Mosher's thioacid: agents for determining the enantiomer excess of SN2 substrates". supporting information; experimental part. p. 2793 - 2796. Retrieved 2010/07/06.