6-Chloropiperonyl alcohol

Base Information

• Chemical Name: 6-Chloropiperonyl alcohol
• CAS No.: 2591-25-5
• Molecular Formula: C8H7 Cl O3
• Molecular Weight: 186.595
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID901344383
• Nikkaji Number: J265.485G
• Wikidata: Q106902818
• Mol file: 2591-25-5.mol

Synonyms:6-Chloropiperonyl alcohol;2591-25-5;(6-Chlorobenzo[d][1,3]dioxol-5-yl)methanol;(6-chloro-1,3-benzodioxol-5-yl)methanol;(6-Chloro-1,3-dioxaindan-5-yl)methanol;6-chloropiperonylalcohol;SCHEMBL2383983;DTXSID901344383;(-)-DI-TERT-BUTYLD-TARTRATE;MFCD00051727;STK280667;AKOS000368610;CCG-321484;2-Chlor-4,5-methylendioxy-benzylalkohol;AM803597;AS-77508;CS-0216713;FT-0621087;EN300-55473;W10529;Z274630072

Chemical Property of 6-Chloropiperonyl alcohol

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: 73-74°C
• Refractive Index: 1.609
• Boiling Point: 317.8°Cat760mmHg
• PKA: 13.82±0.10(Predicted)
• Flash Point: 146°C
• PSA: 38.69000
• Density: 1.476g/cm³
• LogP: 1.56100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

6-Chloropiperonylalcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)CO)Cl

Technology Process of 6-Chloropiperonyl alcohol

There total 2 articles about 6-Chloropiperonyl alcohol 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:

6-chloropiperonal (15952-61-1) → 6-chloro-3,4-methylenedioxybenzyl alcohol (2591-25-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9380001780

Reference yield:

→ 6-chloro-3,4-methylenedioxybenzyl alcohol (2591-25-5)

Guidance literature:

aus LiAlH4 und 2-Chlor-4,5-methylendioxybenzaldehyd;

DOI:10.1021/ja00842a031

Reference yield: 75.0%

6-chloro-3,4-methylenedioxybenzyl alcohol (2591-25-5) → 5-bromo-6-chloro-benzo[1,3]dioxole (233770-05-3) + 6-chloropiperonal (15952-61-1)

Guidance literature:

With bis(collidine)bromine(I) hexafluorophosphate; In dichloromethane; at 20 ℃; for 10h;

DOI:10.1016/S0040-4039(00)01598-7

upstream raw materials:

6-chloropiperonal

Downstream raw materials:

6-chloropiperonyl chloride

6-chloro-3,4-methylenedioxybenzyl bromide

5-bromo-6-chloro-benzo[1,3]dioxole

6-chloropiperonal