3-Chloro-2,4-dimethylpentane

Base Information

• Chemical Name: 3-Chloro-2,4-dimethylpentane
• CAS No.: 19174-61-9
• Molecular Formula: C7H15 Cl
• Molecular Weight: 134.649
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID60550995
• Mol file: 19174-61-9.mol

Synonyms:3-CHLORO-2,4-DIMETHYLPENTANE;19174-61-9;SCHEMBL7555810;DTXSID60550995;VOMRVCAZIIQGLI-UHFFFAOYSA-N;AKOS006274873;Tert-butylN-(3-amino-3-thioxopropyl)carbamate

Chemical Property of 3-Chloro-2,4-dimethylpentane

Chemical Property:

• PSA: 0.00000
• LogP: 2.90580
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.0862282
• Heavy Atom Count: 8
• Complexity: 49.4

Purity/Quality:

99% ^*data from raw suppliers

3-CHLORO-2,4-DIMETHYLPENTANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)C)Cl

Technology Process of 3-Chloro-2,4-dimethylpentane

There total 4 articles about 3-Chloro-2,4-dimethylpentane 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%

2-isopropyl-3-methyl-butyryl chloride (29571-64-0) → 3-chloro-2,4-dimethylpentane (19174-61-9)

Guidance literature:

With tetrachloromethane; dmap; 2-mercaptopyridine-1-oxide sodium salt; for 3h; Heating;

Reference yield: 66.0%

2,4-dimethyl-3-pentanol (600-36-2) → 2-chloro-2,4-dimethyl-pentane (35951-33-8) + 2,4-dimethyl-2-pentene (625-65-0) + 3-chloro-2,4-dimethylpentane (19174-61-9)

Guidance literature:

With trichloroacetonitrile; triphenylphosphine; In 1,2-dichloro-benzene; at -7 ℃; for 24h; Product distribution; other alcohols; other halogenating agents; also with use of iodide and thiocyanate ions; var. solvents, temp. and reaction times;

Reference yield: 28.0%

2,4-dimethyl-3-pentanol (600-36-2) → 3-chloro-2,4-dimethylpentane (19174-61-9)

Guidance literature:

With trichloroacetonitrile; triphenylphosphine; In acetonitrile; at -15 - 20 ℃;

DOI:10.1021/jo990412u

upstream raw materials:

2,4-dimethyl-3-pentanol

2-isopropyl-3-methyl-butyryl chloride

Downstream raw materials:

(2S)-2-(benzyl{2-[benzyl((1S)-2-{[bis(propan-2-yl)phosphanyl]oxy}-1-phenylethyl)amino]ethyl}amino)-2-phenylethyl bis(propan-2-yl)phosphinite

(2S)-2-[benzyl(2-{benzyl[(2S)-1-{[bis(propan-2-yl)phosphanyl]oxy}-3-phenylpropan-2-yl]amino}ethyl)amino]-3-phenylpropyl bis(propan-2-yl)phosphinite

(2R)-2-(benzyl{2-[benzyl((1R)-2-{[bis(propan-2-yl)phosphanyl]oxy}-1-phenylethyl)amino]ethyl}amino)-2-phenylethyl bis(propan-2-yl)phosphinite

(2R)-2-[benzyl(2-{benzyl[(2R)-1-{[bis(propan-2-yl)phosphanyl]oxy}-3-phenylpropan-2-yl]amino}ethyl)amino]-3-phenylpropyl bis(propan-2-yl)phosphinite