 Home > Encyclopedia > 3,4-Dimethylpyrazole

3,4-Dimethylpyrazole

3,4-Dimethylpyrazole structure

CAS No:
2820-37-3
Formula:
C5H8N2
Chemical Name:
3,4-Dimethylpyrazole
Synonyms:
1H-Pyrazole,3,4-dimethyl-;Pyrazole,3,4-dimethyl-;Pyrazole,3,4(or 4,5)-dimethyl-;3,4-Dimethyl-1H-pyrazole;3,4-Dimethylpyrazole;4,5-Dimethylpyrazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Light Yellow Solid

3,4-dimethyl-1H-pyrazole is a member of the class of pyrazoles that is 1H-pyrazole which is substituted by methyl groups at positions 3 and 4.

3,4-Dimethylpyrazole Basic Attributes

Molecular Weight：

96.13

Exact Mass：

96.13

EC Number：

429-130-1

UNII：

7LF1K5QUJ0

DSSTox ID：

DTXSID90182465

Characteristics

PSA：

28.7

XLogP3：

Density：

0.9325

Melting Point：

56 °C

Boiling Point：

106-107 °C @ Press: 11 Torr

Water Solubility：

Slightly soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

26-39-61

Marks：

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H318-H412

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P280, P281, P301+P312, P305+P351+P338, P308+P313, P310, P314, P330, P405, and P501|Aggregated GHS information provided by 108 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Dimethylpyrazole Use and Manufacturing

3.b Conversion into 3, 4-dimethylpyrazole A mixture of 74.2 g (0.52 mol) of 68.8% strength sulfuric acid and 0.5 g (3.3 mmol) of sodium iodide was heated to 155 C. and, at this temperature, the mixture obtained in 3.a was added. Water was distilled out during the addition and for a further 30 min after the addition was complete. The water removed in this way was added to the reaction mixture, after it had been cooled to 50 C., to dilute it. The diluted reaction mixture was adjusted to pH 8.5 with 15% strength sodium hydroxide solution. A large part of the product resulted as an oil from this neutralization and can be removed by decantation. Extraction of the aqueous phase with isobutanol and subsequent workup of the collected organic phases by distillation resulted in 21.4 g of 3, 4-dimethylpyrazole (88.4% based on hydrazine hydrate) of 99.2% purity.1-dimethylamino-2-methyl-1-buten-3-one prepared in was added to a three-necked bottle, Add batches such as 87g guanidine hydrochloride solid, Then control the temperature at 15-35 C, slowly add hydrochloric acid to adjust the pH to 7-9, and keep the reaction at 15-45 C for 2 hours.Slowly add 20% NaOH aqueous solution to adjust the pH to 7-10, add 140g of toluene, The organic layer was obtained by static layering, and the solvent was evaporated under reduced pressure to give crude 3, 4-

Computed Properties

Molecular Weight:96.13
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:96.068748264
Monoisotopic Mass:96.068748264
Topological Polar Surface Area:28.7
Heavy Atom Count:7
Complexity:63.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,4-Dimethylpyrazole

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,4-dimethyl-1H-pyrazole

CAS No.: 2820-37-3

Content: 99.00%

Inquiry
Fulecare Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of Slu-pp-332,BAM 15

High Quality 3,4-Dimethyl Pyrazole Powder CAS 2820-37-3 Pharmaceutical Intermediate Research Raw Material

Unit Price: $250-300 /KG FOB

CAS No.: 2820-37-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Hangzhou Weck Chemical Industry Co., Ltd Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of Demulsifier Active Ingredient

High purity 3,4-DIMETHYL PYRAZOLE

CAS No.: 2820-37-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

Factory supply 3, 4-Dimethyl-1h-Pyrazol

CAS No.: 2820-37-3

Grade: Pharmaceutical Grade

Content: 0%

Inquiry