(1-Methyl-1H-pyrazol-3-yl)methanol

Base Information

• Chemical Name: (1-Methyl-1H-pyrazol-3-yl)methanol
• CAS No.: 84547-62-6
• Molecular Formula: C5H8N2O
• Molecular Weight: 112.131
• Hs Code.: 2933199090
• European Community (EC) Number: 692-570-8
• DSSTox Substance ID: DTXSID00511323
• Wikidata: Q82370070
• Mol file: 84547-62-6.mol

Synonyms:(1-Methyl-1H-pyrazol-3-yl)methanol;84547-62-6;(1-methylpyrazol-3-yl)methanol;MFCD08690274;1-Methyl-3-pyrazolemethanol;1H-Pyrazole-3-methanol, 1-methyl-;1-Methyl-1H-pyrazole-3-methanol;3-(Hydroxymethyl)-1-methyl-1H-pyrazole;SCHEMBL324166;(hydroxymethyl)-1-methylpyrazole;DTXSID00511323;WCKJRVKJTUIAFW-UHFFFAOYSA-N;(1-methyl-1H pyrazol-3-yl)methanol;AKOS003673723;CS-W020719;PB20290;PS-4118;AM804390;SY064602;BB 0263179;FT-0706739;EN300-53658;A864096;J-500226;Z802669186

Chemical Property of (1-Methyl-1H-pyrazol-3-yl)methanol

Chemical Property:

• Vapor Pressure: 0.017mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 243.569 °C at 760 mmHg
• PKA: 13.61±0.10(Predicted)
• Flash Point: 101.107 °C
• PSA: 38.05000
• Density: 1.167 g/cm³
• LogP: -0.08760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1-Methyl-1H-pyrazol-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=N1)CO

Technology Process of (1-Methyl-1H-pyrazol-3-yl)methanol

There total 7 articles about (1-Methyl-1H-pyrazol-3-yl)methanol 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: 84.0%

1-methyl-1H-pyrazole-3-carbaldehyde (27258-32-8) → (1-methyl-1H-pyrazol-3-yl)methanol (84547-62-6)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 0 - 20 ℃; for 3h;

Reference yield: 35.0%

methyl ester of 1-methylpyrazole-3-carboxylic acid (17827-61-1) → (1-methyl-1H-pyrazol-3-yl)methanol (84547-62-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

Reference yield:

1-methyl-1H-pyrazole (930-36-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (1-methyl-1H-pyrazol-5-yl)methanol (84547-61-5) + (1-methyl-1H-pyrazol-3-yl)methanol (84547-62-6)

Guidance literature:

1-methyl-1H-pyrazole; N,N-dimethyl-formamide; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.5h;

DOI:10.1016/S0968-0896(00)00314-X

upstream raw materials:

1-methyl-1H-pyrazole-3-carbonyl chloride

methyl ester of 1-methylpyrazole-3-carboxylic acid

1-methyl-1H-pyrazole

N,N-dimethyl-formamide

Downstream raw materials:

3-(chloromethyl)-1-methyl-1H-pyrazole hydrochloride

1-methyl-1H-pyrazole-3-carbaldehyde

5-(4-chloro-3-(2,2,2-trifluoroethoxy)phenyl)-3-(1-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK". Paragraph 0175. . Retrieved 2014/05/24.
• 2、 Azami, Hidenori,Barrett, David,Tanaka, Akira,Sasaki, Hiroshi,Matsuda, Keiji,Sakurai, Minoru,Terasawa, Takeshi,Shirai, Fumiyuki,Chiba, Toshiyuki,Matsumoto, Yoshimi,Tawara, Shuichi. "Synthesis and antibacterial activity of novel 4-pyrrolidinylthio carbapenems. Part IV. 2-Alkyl substituents containing cationic heteroaromatics linked via a C-C bond". . p. 961 - 982. Retrieved 2007/10/03.