5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride

Base Information

• Chemical Name: 5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride
• CAS No.: 81074-81-9
• Molecular Formula: C8H13 N O2 . Cl H
• Molecular Weight: 191.658
• Hs Code.: 2932190090
• European Community (EC) Number: 279-686-0
• DSSTox Substance ID: DTXSID201001756
• Mol file: 81074-81-9.mol

Synonyms:81074-81-9;5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride;(5-((Dimethylamino)methyl)furan-2-yl)methanol hydrochloride;[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride;EINECS 279-686-0;((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride;5-(Dimethylaminomethyl)-2-furfuryl Alcohol Hydrochloride;[[2-(hydroxymethyl)-5-furyl]methyl]ammonium chloride;Ranitidine Impurity F HCl;[5-[(dimethylamino)methyl]furan-2-yl]methanol hydrochloride;[5-[(Dimethyl-amino)methyl]furan-2-yl]methanol Hydrochloride;{5-[(DIMETHYLAMINO)METHYL]FURAN-2-YL}METHANOL HYDROCHLORIDE;SCHEMBL3081249;2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride;[5-[(dimethylamino)methyl]furan-2-yl]methanol,hydrochloride;DTXSID201001756;AKOS015845772;BS-23302;FT-0619710;EN300-342091;A840036;5-(dimethylamino)methylfurfuryl alcohol hydrochloride;5-(Dimethylaminomethyl)furfurylalcohol hydrochloride;J-640048;J-800050;W-104219;5-(Dimethylaminomethyl)-2-furanmethanol hydrochloride;5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride;(5-((Dimethylamino)methyl)furan-2-yl)methanolhydrochloride;[5-[(dimethylamino)methyl]-2-furanyl]methanol hydrochloride;5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride, 98%;{5-[(Dimethylamino)methyl]furan-2-yl}methanol--hydrogen chloride (1/1)

Chemical Property of 5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride

Chemical Property:

• Vapor Pressure: 0.0762mmHg at 25°C
• Melting Point: 122-125oC
• Boiling Point: 217.7°C at 760 mmHg
• Flash Point: 85.5°C
• PSA: 36.61000
• LogP: 1.63550
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.0713064
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

90.0%Min ^*data from raw suppliers

5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(O1)CO.Cl
• Uses: 5-(Dimethylaminomethyl)-2-furfuryl Alcohol Hydrochloride (Ranitidine EP Impurity F) is an intermediate in the synthesis of Ranitidine hydrochloride (R120000). An intermediate in the synthesis of Ranitidine hydrochloride (R120000).

Technology Process of 5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride

There total 2 articles about 5-(Dimethylaminomethyl)furfuryl alcohol 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:

ranitidine hydrochloride (66357-35-5,66357-59-3,71130-06-8,358638-36-5) → 5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride (81074-81-9) + 5,6-dihydro-3-methylamino-2H-1,4-thiazine-2-one oxime hydrochloride

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

Reference yield:

→ 5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride (81074-81-9)

Guidance literature:

Reference yield:

5-[(dimethylamino)methyl]-furfuryl alcohol hydrochloride (81074-81-9) → 5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine (66356-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 91.5 percent / aq. sodium thiosulfate, NaOH / 1 h / 30 °C

2: 65 percent / 50percent aq. NaOH / triethylbenzylammonium chloride / acetonitrile / 5 h / Ambient temperature

With sodium hydroxide; sodium thiosulfate; N-benzyl-N,N,N-triethylammonium chloride; In acetonitrile;

upstream raw materials:

ranitidine hydrochloride

Downstream raw materials:

5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine

Refernces

• 1、 Cholerton, Trevor J.,Clitherow, John,Hunt, John H.,Mackinnon, John W. M.,Martin-Smith, Michael,et al.. "Preparation, Characterisation, and Breakdown Products of Two Nitrosation Products of Ranitidine". . p. 2818 - 2846. Retrieved 2007/10/02.