5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride

Base Information

• Chemical Name: 5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride
• CAS No.: 6562-92-1
• Molecular Formula: C11H14ClNO2
• Molecular Weight: 264.152
• European Community (EC) Number: 839-553-5
• NSC Number: 71071
• ChEMBL ID: CHEMBL1605976
• Mol file: 6562-92-1.mol

Synonyms:5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride;5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride;5-(chloromethyl)-2,2,8-trimethyl-2H,4H-[1,3]dioxino[4,5-c]pyridine hydrochloride;5-Chloromethyl-2,2,8-trimethyl-4H-1,3-dioxino[4,5-c]pyridine;NSC71071;MLS000121462;CHEMBL1605976;NSC-71071;AKOS015845821;SMR000118830;CS-0227424;EN300-1655739;SR-01000318304;SR-01000318304-1;5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

Chemical Property of 5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000773mmHg at 25°C
• Melting Point: 185-187 °C
• Boiling Point: 316.2°Cat760mmHg
• Flash Point: 145°C
• PSA: 31.35000
• Density: 1.173g/cm³
• LogP: 3.57590
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.0479841
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C2=C1OC(OC2)(C)C)CCl.Cl

Technology Process of 5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride

There total 2 articles about 5-Chloromethyl-2,2,8-trimethyl-4H-[1,3]dioxino-[4,5-c]pyridine hydrochloride 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: 99.0%

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol hydrochloride (6953-28-2) → chlorhydrate de la 5-(chloromethyl)-2,2,8-trimethyl-4H-1,3-dioxino<4,5-c>pyridine (6562-92-1)

Guidance literature:

With thionyl chloride; In dichloromethane; at 25 ℃; for 2h;

Reference yield:

pyridoxal hydrochloride (58-56-0) → chlorhydrate de la 5-(chloromethyl)-2,2,8-trimethyl-4H-1,3-dioxino<4,5-c>pyridine (6562-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 2.5 h

2: thionyl chloride / diethyl ether / 5 h / 0 °C / Reflux

With hydrogenchloride; thionyl chloride; In diethyl ether;

Reference yield:

chlorhydrate de la 5-(chloromethyl)-2,2,8-trimethyl-4H-1,3-dioxino<4,5-c>pyridine (6562-92-1) + p-Chlorothiophenol (106-54-7) → 5-(4-chloro-phenylsulfanylmethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine (6953-29-3)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jm00331a006

upstream raw materials:

(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol hydrochloride

pyridoxal hydrochloride

Downstream raw materials:

2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)acetonitrile

5-benzoylsulfanylmethyl-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

5-(4-chloro-phenylsulfanylmethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

3,4'-O-isopropylidene-5'-O-benzylpyridoxine