(3,5-Dimethyl-1H-pyrazol-1-yl)methanol

Base Information

• Chemical Name: (3,5-Dimethyl-1H-pyrazol-1-yl)methanol
• CAS No.: 85264-33-1
• Molecular Formula: C6H10N2O
• Molecular Weight: 126.158
• Hs Code.: 29331990
• European Community (EC) Number: 286-553-0
• NSC Number: 71880
• UNII: 968267D0AP
• DSSTox Substance ID: DTXSID1032513
• Nikkaji Number: J307.630J
• Wikidata: Q27271883
• ChEMBL ID: CHEMBL1828958
• Mol file: 85264-33-1.mol

Synonyms:85264-33-1;(3,5-Dimethyl-1H-pyrazol-1-yl)methanol;3,5-Dimethylpyrazole-1-methanol;Dimethyl hydroxymethyl pyrazole;3,5-Dimethyl-1H-pyrazole-1-methanol;1H-Pyrazole-1-methanol, 3,5-dimethyl-;(3,5-dimethylpyrazol-1-yl)methanol;1-Hydroxymethyl-3,5-dimethylpyrazole;3,5-Dimethyl-1-hydroxymethylpyrazole;3,5-dimethylpyrazol-1-methanol;EINECS 286-553-0;1-(hydroxymethyl)-3,5-dimethylpyrazole;CHEMBL1828958;DTXSID1032513;UNII-968267D0AP;3,5-Dimethylpyrazole-1-carbinol;3,5-Dimethyl pyrazole-1-carbinol;NSC 71880;NSC-71880;968267D0AP;(3,5-dimethyl-pyrazol-1-yl)-methanol;NSC71880;SCHEMBL94392;BUSAN 1504;DTXCID9012513;Tox21_301192;BBL012456;BDBM50486775;MFCD00020738;STK347697;AKOS000305985;3,5-dimethyl-1H-pyrazolyl-1-methanol;AS-9411;3,5-dimethyl-1H-pyrazole-1-ylmethanol;3,5-Dimethylpyrazole-1-methanol, 99%;NCGC00248326-01;NCGC00255090-01;3,5-Dimethyl-1-(hydroxymethyl)-pyrazole;DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLE;(3,5-dimethyl-1H-pyrazol-1-yl)-methanol;CAS-85264-33-1;LS-128520;(3,5-Dimethyl-1H-pyrazol-1-yl)methanol #;CS-0221875;FT-0614652;PYRAZOLE-1-METHANOL, 3,5-DIMETHYL-;3,5-Dimethyl-1-(hydroxymethyl)-1H-pyrazole;DIMETHYL HYDROXYMETHYL PYRAZOLE [INCI];2-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE;3, 5- dimethyl- 1H- pyrazole- 1- methanol;3,5-DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLE;D90013;EN300-100417;N-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE;J-511363;Q27271883;Z1255427262

Chemical Property of (3,5-Dimethyl-1H-pyrazol-1-yl)methanol

Chemical Property:

• Appearance/Colour: White crystals
• Vapor Pressure: 0.0645mmHg at 25°C
• Melting Point: 110-112 °C(lit.)
• Refractive Index: 1.543
• Boiling Point: 220.7 °C at 760 mmHg
• PKA: 13.34±0.10(Predicted)
• Flash Point: 87.3 °C
• PSA: 38.05000
• Density: 1.13 g/cm³
• LogP: 0.44970
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.079312947
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

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

(3,5-Dimethyl-1H-pyrazol-1-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-52/53
• Safety Statements: 26-37/39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=NN1CO)C
• Uses: 3,5-Dimethylpyrazole-1-methanol may be used in chemical synthesis.

Technology Process of (3,5-Dimethyl-1H-pyrazol-1-yl)methanol

There total 3 articles about (3,5-Dimethyl-1H-pyrazol-1-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: 96.0%

3,5-dimethyl-1H-pyrazole (67-51-6) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1-(Hydroxymethyl)-3,5-dimethylpyrazole (85264-33-1)

Guidance literature:

at 120 ℃; for 24h;

Reference yield: 95.9%

→ 1-(Hydroxymethyl)-3,5-dimethylpyrazole (85264-33-1)

Guidance literature:

In dichloromethane; at 60 ℃; for 4h;

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → 1-(Hydroxymethyl)-3,5-dimethylpyrazole (85264-33-1)

Guidance literature:

With formaldehyd;

upstream raw materials:

3,5-dimethyl-1H-pyrazole

formaldehyd

Downstream raw materials:

1-hydroxymethyl-4-bromo-3,5-dimethyl-pyrazole

2,6-bis<(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl>phenol

N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)phenylamine

1-chloromethyl-3,5-dimethyl-1H-pyrazole hydrochloride