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5376-10-3

Basic Information
CAS No.: 5376-10-3
Name: (1-BENZYL-1H-IMIDAZOL-2-YL)METHANOL
Article Data: 18
Molecular Structure:
Molecular Structure of 5376-10-3 ((1-BENZYL-1H-IMIDAZOL-2-YL)METHANOL)
Formula: C11H12N2O
Molecular Weight: 188.229
Synonyms: Imidazole-2-methanol, 1-benzyl-;
Density: 1.13 g/cm3
Melting Point: 89-92 °C
Boiling Point: 354.9 °C at 760 mmHg
Flash Point: 168.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 38.05000
LogP: 1.42370
Synthetic route
10045-65-5

N-benzylimidazole-2-carboxaldehyde

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 0℃; for 2.5h;93.1%
With sodium tetrahydroborate In methanol at 0℃; for 2.5h;
With methanol; sodium tetrahydroborate at 0 - 20℃;
4238-71-5

1-benzylimidazole

50-00-0

formaldehyd

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
In water at 150℃; for 3h;92%
In water for 72h; Heating;56%
In 1,4-dioxane at 135℃; under 5250.53 Torr; for 20h; Autoclave;50%
4238-71-5

1-benzylimidazole

50-00-0

formaldehyd

A

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

B

115960-26-4

1-benzylimidazole-2,5-dimethanol

C

118599-62-5

1-benzylimidazole-2,4,5-trimethanol

Conditions
ConditionsYield
With sodium acetate In water; acetic acid at 140℃; for 12h;A 10%
B 20%
C 5%
4238-71-5

1-benzylimidazole

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) n-BuLi / 1.) Et2O, hexane, -45 deg C, 30 min, 2 a.) -75 deg C, b.) 0 deg C, 10 min
2: NaBH4 / methanol / 2.5 h / 0 °C
View Scheme
With sodium hydroxide; formaldehyd
With sodium hydroxide; formaldehyd
23269-10-5

1-benzyl-1H-imidazole-2-thione

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous HNO3
View Scheme
61190-10-1

N-benzyl-N-(2,2-diethoxyethyl)amine

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ethanol; aqueous HCl
2: aqueous HNO3
View Scheme
Multi-step reaction with 3 steps
1: ethanol; aqueous HCl
2: aqueous HNO3
View Scheme
100-39-0

benzyl bromide

5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydroxide / acetone / 2 h
2: sodium tetrahydroborate / methanol / 2.5 h / 0 °C
View Scheme
5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

19276-03-0

1-(phenylmethyl)-2-chloromethyl-1H-imidazole monohydrochloride

Conditions
ConditionsYield
With thionyl chloride In chloroform for 2h; Heating;95%
Multi-step reaction with 2 steps
1: HCl / CH2Cl2
2: SOCl2 / 0.5 h / Ambient temperature
View Scheme
With thionyl chloride In dichloromethane
With thionyl chloride In dichloromethane
5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

cadmium(II) nitrate tetrhydrate

[Cd(1-benzyl-2-hydroxymethylimidazole)4](NO3)2(H2O)2

Conditions
ConditionsYield
In methanol; water soln. of ligand in MeOH stirred with aq. soln. of metal salt in molar ratio of 4:1; crystd. at room temp. for 1 wk, filtered, dried in vac.; elem. anal.;88%
5376-10-3

1-benzyl-2-(hydroxymethyl)imidazole

110-75-8

2-chloroetyl vinyl ether

959857-27-3

1-benzyl-2-(vinyloxyethyloxymethyl)imidazole

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water; toluene at 90℃; for 24h;87%
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In toluene at 90℃; for 24h;85%
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  • 1H-Imidazole-2-methanol,1-(phenylmethyl)-  CAS NO.5376-10-3

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Specification

The 1H-Imidazole-2-methanol,1-(phenylmethyl)-, with the CAS registry number 5376-10-3, is also known as Imidazole-2-methanol, 1-benzyl-. This chemical's molecular formula is C11H12N2O and molecular weight is 188.2258. What's more, both its IUPAC name and systematic name are the same which is called (1-Benzyl-1H-imidazol-2-yl)-methanol.

Physical properties about 1H-Imidazole-2-methanol,1-(phenylmethyl)- are: (1)ACD/LogP: 0.97; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6) Polar Surface Area: 27.05Å2; (7)Index of Refraction: 1.592; (8) Molar Refractivity: 56 cm3; (9)Molar Volume: 165.4 cm3; (10)Surface Tension: 45.2 dyne/cm; (11)Density: 1.13 g/cm3; (12)Flash Point: 168.4 °C; (13)Enthalpy of Vaporization: 63.31 kJ/mol; (14)Boiling Point: 354.9 °C at 760 mmHg; (15)Vapour Pressure: 1.19E-05 mmHg at 25 °C; (16)Melting Point: 89-92 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1nccn1Cc2ccccc2
(2) InChI: InChI=1/C11H12N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2
(3) InChIKey: SGIKRGDBBXWNRI-UHFFFAOYAW