1,3-Dichloropropane

Base Information

• Chemical Name: 1,3-Dichloropropane
• CAS No.: 142-28-9
• Molecular Formula: C3H6Cl2
• Molecular Weight: 112.987
• Hs Code.: 29031990
• European Community (EC) Number: 205-531-3
• ICSC Number: 0724
• NSC Number: 6204
• UN Number: 1993,1992
• UNII: AJ1HQ2GUCP
• DSSTox Substance ID: DTXSID6022004
• Nikkaji Number: J2.543G
• Wikipedia: 1,3-Dichloropropane
• Wikidata: Q2436290
• ChEMBL ID: CHEMBL157427
• Mol file: 142-28-9.mol

Synonyms:1,3-dichloropropane

Chemical Property of 1,3-Dichloropropane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 18.3mmHg at 25°C
• Melting Point: -99 ºC
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 120.4 °C at 760 mmHg
• Flash Point: 32.2 °C
• PSA: 0.00000
• Density: 1.188 g/cm³
• LogP: 1.85410
• Storage Temp.: Refrigerator
• Water Solubility.: 0.8 g/L (20 ºC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 111.9846556
• Heavy Atom Count: 5
• Complexity: 12.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dichloropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F,Xn,T,Xi
• Statements: 11-20-20/22-52/53-36/37/38-39/23/24/25-23/24/25-36-20/21/22
• Safety Statements: 9-16-29-33-24-61-26-45-36/37-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: C(CCl)CCl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Uses: 1,3-Dichloropropane is used as an intermediate in organic synthesis. It is also used as solvent, detergent and chromatographic analysis. Further, it is used to prepare 3,7-dithia-nonanedioic acid by reacting with mercaptoacetic acid.

Technology Process of 1,3-Dichloropropane

There total 63 articles about 1,3-Dichloropropane 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: 83.5%

cyclopropane (75-19-4) → cyclopropyl chloride (7393-45-5) + 1,1-dichlorocyclopropane (2088-35-9) + 1,3-Dichloropropane (142-28-9) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

With chlorine; silicon tetrafluoride; at 600 ℃; Product distribution; Irradiation;

DOI:10.1016/0584-8539(87)80080-6

Reference yield: 75.0%

trimethyleneglycol (504-63-2) → 1,3-Dichloropropane (142-28-9) + 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

With tetrachloromethane; triphenylphosphine; In acetonitrile; Product distribution; Mechanism;

DOI:10.1021/jo00329a052

Reference yield: 11.0%

cyclopropane (75-19-4) → 1,1,3-trichloropropane (20395-25-9) + 1,2,3-trichloropropane (96-18-4) + cyclopropyl chloride (7393-45-5) + 1,1-dichlorocyclopropane (2088-35-9) + 1,3-Dichloropropane (142-28-9)

Guidance literature:

With chlorine; In trichlorofluoromethane; at 21 ℃; for 0.0833333h; Product distribution; Mechanism; Irradiation; also 1,3-dichloropropane; var. solvents (also in the gas phase);

DOI:10.1021/ja00091a020

upstream raw materials:

trimethylene oxide

3-chloropropyl p-toluenesulfonate

diethyl ether

formaldehyd

Downstream raw materials:

1-tert-butyl-4-(3-chloropropoxy)benzene

1,3-bis-(4-tert-butyl-phenoxy)-propane

hexa-Si-phenyl-Si,Si'-propanediyl-bis-silane

2-[(3-chloropropyl)sulfanyl]-1,3-benzothiazole

Refernces

Discovery of non-carbohydrate inhibitors of aminoglycoside-modifying enzymes

10.1016/j.bmc.2005.06.059

The research aimed to develop new non-carbohydrate inhibitors to combat bacterial resistance to aminoglycoside antibiotics. The study focused on designing inhibitors containing the 1,3-diamine pharmacophore, a common motif in aminoglycosides, and synthesizing a library of molecules with various side chains attached to this motif. The key chemicals used included primary amines A–I, 1,3-dichloropropane for the initial synthesis, and acryloyl chloride for an alternate synthetic route. The researchers identified several diamines that inhibited multiple aminoglycoside-modifying enzymes (AGMEs), with compound G,H being the first non-carbohydrate inhibitor competitive with the aminoglycoside substrate for ANT(200), and compound H,I acting as a competitive inhibitor for both APH(30) and ANT(200) with respect to metal–ATP. The study concluded that the presence of specific functional groups, such as amine H (3-(dimethylamino)propylamine), was crucial for enzyme recognition and inhibition. The findings suggest that this approach could lead to the development of more potent non-carbohydrate inhibitors of AGMEs, potentially restoring the efficacy of aminoglycoside antibiotics against resistant bacteria.