1-Bromo-3-chloropropane

Base Information

• Chemical Name: 1-Bromo-3-chloropropane
• CAS No.: 109-70-6
• Molecular Formula: C3H6BrCl
• Molecular Weight: 157.438
• Hs Code.: 2903.40
• European Community (EC) Number: 203-697-1
• ICSC Number: 1665
• NSC Number: 9183
• UN Number: 2688
• UNII: KA4WR2LS00
• DSSTox Substance ID: DTXSID1051565
• Nikkaji Number: J29.156K
• Wikipedia: 1-Bromo-3-chloropropane
• Wikidata: Q22829220
• ChEMBL ID: CHEMBL156560
• Mol file: 109-70-6.mol

Synonyms:1-bromo-3-chloropropane

Chemical Property of 1-Bromo-3-chloropropane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 9.15mmHg at 25°C
• Melting Point: -59 °C
• Refractive Index: 1.4851
• Boiling Point: 136.4 °C at 760 mmHg
• Flash Point: 38 °C
• PSA: 0.00000
• Density: 1.534 g/cm³
• LogP: 2.01020
• Storage Temp.: room temp
• Solubility.: 2.24g/l insoluble
• Water Solubility.: insoluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 155.93414
• Heavy Atom Count: 5
• Complexity: 16.4
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

1-Bromo-3-chloropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-36/37/38-20/21/22-20/22-68-52/53-37
• Safety Statements: 16-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(CCl)CBr
• 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 may cause effects on the central nervous system and liver. This may result in impaired functions.
• Uses: 1-Bromo-3-chloropropane can be used safer and equally efficient alternative to chloroform as a phase-separation agent in the 1-step method of RNA isolation from biological samples such as animal and p lant tissue. A replacement for CHCl3 in RNA phase separations 1-Bromo-3-chloropropane is used in the preparation active pharmaceutical ingredient intermediate such as gemfibrozil and reproterol. It is also involved in the preparation of cardiovascular diseases and analgesic drugs materials. It is utilized as a phase separation reagent for the isolation of ribonucleic acid (RNA) in high quality. It is considered as a replacement of chloroform in nucleic acid separations.

Technology Process of 1-Bromo-3-chloropropane

There total 25 articles about 1-Bromo-3-chloropropane 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: 92.0%

3-chloroprop-1-ene (107-05-1) → 1.3-chlorobromopropane (109-70-6)

Guidance literature:

With hydrogen bromide; dibenzoyl peroxide; In benzene; at 20 ℃; for 6h;

DOI:10.1134/S0965544107020089

Reference yield:

3-chloropropyl p-toluenesulfonate (632-02-0) + diethyl ether (60-29-7,927820-24-4) + heptyl magnesium (1+); bromide → decyl chloride (1002-69-3) + 1.3-chlorobromopropane (109-70-6)

Guidance literature:

Reference yield:

3-chloropropyl p-toluenesulfonate (632-02-0) + diethyl ether (60-29-7,927820-24-4) + ethylmagnesium bromide → 1-Chloropentane (543-59-9) + 1.3-chlorobromopropane (109-70-6)

Guidance literature:

upstream raw materials:

3-chloropropyl p-toluenesulfonate

diethyl ether

propyl bromide

1,3-Dichloropropane

Downstream raw materials:

diethyl (3-chloropropyl)phosphonate

1-(3-chloropropyl)pyrrolidine

4-(3-chloropropyl)morpholine

1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline

Refernces

Practical and phase transfer-catalyzed synthesis of 6-methoxytryptamine

10.1080/00397910600588504

The study presents a practical and cost-effective synthesis of 6-methoxytryptamine, an important intermediate for the total synthesis of the pentacyclic indole alkaloid reserpine. The synthesis starts from commercially available phthalimide and 1-bromo-3-chloropropane. Initially, phthalimide and 1-bromo-3-chloropropane are treated with PEG-600 and K2CO3 under reflux to produce chloropropylphthalimide. This compound then undergoes phase transfer-catalyzed (PTC) alkylation with ethyl acetoacetate in the presence of triethylbenzylammonium chloride (TEBAC) and KOH to form phthalimidopentanoate. The phthalimidopentanoate is subsequently reacted with the diazonium salt of m-anisidine via a Japp–Klingemann reaction to yield 5-methoxyindole. Finally, the ester group in 5-methoxyindole is hydrolyzed with aqueous KOH and then decarboxylated with HCl to obtain 6-methoxytryptamine. The overall yield of the synthesis is 44%, and the method offers advantages such as mild experimental conditions, short reaction times, and simple operations.

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