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2,4-Dimethylimidazole

2,4-Dimethylimidazole structure

CAS No:
930-62-1
Formula:
C5H8N2
Chemical Name:
2,4-Dimethylimidazole
Synonyms:
1H-Imidazole,2,5-dimethyl-;Imidazole,2,4-dimethyl-;1H-Imidazole,2,4-dimethyl-;Imidazole,2,4(or 2,5)-dimethyl-;2,5-Dimethyl-1H-imidazole;2,4-Dimethylimidazole;2,5-Dimethylimidazole;2,4-Dimethyl-1H-imidazole;NSC 13192;2-Methyl-4-methylimidazole;88054-17-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow to orange weak mass or viscous liquid

2,4-Dimethylimidazole Basic Attributes

Molecular Weight：

96.13

Exact Mass：

96.13

EC Number：

213-221-4

UNII：

T0MIX7SJ2E

NSC Number：

13192

DSSTox ID：

DTXSID40239236

HScode：

2933290090

Characteristics

PSA：

28.7

XLogP3：

0.9

Appearance：

Yellowish transparent liquid

Density：

1.0±0.1 g/cm3

Melting Point：

137-142 °C

Boiling Point：

>145 °C @ Press: 14 Torr

Flash Point：

142.3±5.1 °C

Refractive Index：

1.520

Water Solubility：

Soluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

Ⅲ

Transport codes：

3263

hazard class code：

safety instructions：

S45-S36/37/39-S26

RTECS Number：

NI4839712

Marks：

C:Corrosive;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (45.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 62 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Dimethylimidazole Use and Manufacturing

General procedure: A 16 mL vial with a PTFE/silicone septum and a nitrogen-bubbler line was charged with N-benzylbenzimidazole (208.1 mg, 1.0 mmol), Pd/C (10 wt percent, dry powder, reduced) (20 mg) and THF (5 mL). The mixture was treated at rt with triethylsilane (320 µL, 2.0 mmol) and then stirred under nitrogen for 14 h at rt. The mixture was filtered through a 0.45 µM PTFE syringe filter and the filtrate was concentrated in vacuo. The residue was purified by column chromatography (0 to 10percent MeOH/ dichloromethane) to afford benzimidazole as a colorless solid (117.6 mg, 0.996 mmol 99percent). The reactions generally exhibit an induction period of 5 to 30 min as indicated by the initiation of gas release (i.e., bubbling) from the reaction mixture. The use of Pd/C on a dry matrix is imperative as wet Pd/C results in decreased yield or no reaction.

Computed Properties

Molecular Weight:96.13
XLogP3:0.9
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

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2,4-Dimethylimidazole

CAS No.: 930-62-1

Content: 99.00%

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