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2-Phenylimidazoline

2-Phenylimidazoline structure

CAS No:
936-49-2
Formula:
C9H10N2
Chemical Name:
2-Phenylimidazoline
Synonyms:
1H-Imidazole,4,5-dihydro-2-phenyl-;2-Imidazoline,2-phenyl-;4,5-Dihydro-2-phenyl-1H-imidazole;2-Phenylimidazoline;2-Phenyl-2-imidazoline;2-Phenyl-4,5-dihydroimidazole;Curezol 2PZ-L;Vestagon B 31;B 31;Veba B 31;NSC 54747;2-Phenyl-4,5-dihydro-1H-imidazole;2PZ-L;Eutomer B 31;Jietongda SA 31;SA 31;Curezol 2PZL-T;54391-81-0;170013-98-6
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Description

LIGHT YELLOW TO YELLOW FLAKES OR CRYST. POWDER

2-Phenylimidazoline Basic Attributes

Molecular Weight：

146.193

Exact Mass：

146.19

EC Number：

213-313-4

NSC Number：

54747

DSSTox ID：

DTXSID5061322

HScode：

2933290090

Characteristics

PSA：

24.4

XLogP3：

0.9

Appearance：

white powder

Density：

1.1±0.1 g/cm3

Melting Point：

102-103 °C

Boiling Point：

162 °C

Flash Point：

104.0±22.6 °C

Refractive Index：

1.611

Water Solubility：

H2O: soluble

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：

3077

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S45-S37/39

RTECS Number：

NJ4395500

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P391, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (37.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 328 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-phenyl-2-imidazoline

2-Phenylimidazoline Use and Manufacturing

Methods of Manufacturing

General procedure: 1, 2-Phenylenediamine (1 mmol) was added to a mixture of RHA-SO3H (30 mg) and aldehyde (1 mmol) and the resulting mixture was stirred at 80 C for the appropriate time in an oil bath. After completion of the reaction, as monitored by TLC (EtOAc: n-hexane 3:7), ethyl acetate (20 mL) was added and the catalyst was separated by filtration. The solvent was then removed under reduced pressure and the resulting solid product was recrystallized from ethanol, producing the pure product in good to high yields.General procedure: To a solution of the requisite aldehyde (0.87 mmol) in CH2Cl2 (30 mL), ethylenediamine (1.05 mmol) was added and stirred at 0 C in an argon atmosphere for 2 hours. N-bromosuccinimide (NBS, 1.05 mmol) was slowly added to the mixture. After stirring at room temperature overnight, % NaOH solution was added until pH 8-10. The mixture was extracted with CH2Cl2. The organic phase was dried with Na2SO4 and the solvent was removed under reduced pressure. The crude products were crystallized from methanol-ethyl acetate 1:1 solvent mixture.

Manufacturing Info：

1H-Imidazole, 4,5-dihydro-2-phenyl-: ACTIVE

Computed Properties

Molecular Weight:146.19
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:146.084398327
Monoisotopic Mass:146.084398327
Topological Polar Surface Area:24.4
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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