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CAS No.: | 6282-02-6 |
---|---|
Name: | N-(Hydroxymethyl)benzamide |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | Benzamidomethanol;Monomethylolbenzamide;N-Methylolbenzamide;N-Monomethylolbenzamide; |
EINECS: | 228-495-0 |
Density: | 1.187 g/cm3 |
Melting Point: | 95-100 °C |
Boiling Point: | 381 °C at 760 mmHg |
Flash Point: | 184.2 °C |
Appearance: | white crystalline powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-37/39 |
PSA: | 49.33000 |
LogP: | 0.75710 |
Conditions | Yield |
---|---|
With NaY zeolite In water at 100℃; for 1h; Reagent/catalyst; Time; | 96% |
With water at 100℃; for 1h; Reagent/catalyst; | 96% |
With aluminum oxide; water at 60 - 65℃; for 0.133333h; microwave irradiation; | 75% |
Conditions | Yield |
---|---|
With formaldehyd | 84% |
Conditions | Yield |
---|---|
With water at 100℃; for 10h; Reagent/catalyst; Sealed tube; | 62% |
formaldehyd
benzamide
A
N-(hydroxymethyl)benzamide
B
N,N'-methylenebisbenzamide
C
bis-N-benzamidomethyl ether
Conditions | Yield |
---|---|
With potassium carbonate In water Heating; | A 57% B n/a C n/a |
N-<(phenylsulfenyl)methyl>benzamide
A
1-Benzamido-1-methoxymethane
B
N-(hydroxymethyl)benzamide
C
N-<(phenylsulfonyl)methyl>benzamide
D
N-<(phenylsulfinyl)methyl>benzamide
Conditions | Yield |
---|---|
With sodium periodate In methanol for 60h; Ambient temperature; | A 8 % Spectr. B 4 % Spectr. C 40% D 8 % Spectr. |
formaldehyd
benzamide
A
N-(hydroxymethyl)benzamide
B
N,N'-methylenebisbenzamide
Conditions | Yield |
---|---|
With HY zeolite In water at 100℃; for 12h; Reagent/catalyst; | A 28% B 35% |
In 1,4-dioxane; water at 40 - 60℃; Thermodynamic data; Kinetics; Mechanism; activation energy, pH 3.5-4.0; |
formaldehyd
benzamide
m-xylene
A
N-(2,4-dimethylbenzyl)benzamide
B
N-(hydroxymethyl)benzamide
Conditions | Yield |
---|---|
With water at 100℃; for 10h; Sealed tube; | A 20% B 35% |
With water at 100℃; for 10h; Concentration; Reagent/catalyst; Sealed tube; | A n/a B 10% |
Conditions | Yield |
---|---|
With water In acetonitrile at 25℃; Rate constant; | |
With water; acetic acid In acetonitrile at 25℃; Rate constant; various buffer concentrations; | |
With sulfuric acid; water In acetonitrile at -258.2℃; Kinetics; Thermodynamic data; ΔS(excit.) ΔH(excit.), var. temp., var. acid concentrations; |
Conditions | Yield |
---|---|
at 25℃; Rate constant; sowie bei 50grad und 70grad; |
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The N-(Hydroxymethyl)benzamide, with the CAS registry number 6282-02-6, is also known as Benzamidomethanol. It belongs to the product categories of Intermediates of Dyes and Pigments; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 228-495-0. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.
Physical properties about N-(Hydroxymethyl)benzamide are: (1)ACD/LogP: 0.445; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.28; (6)ACD/BCF (pH 7.4): 1.28; (7)ACD/KOC (pH 5.5): 41.59; (8)ACD/KOC (pH 7.4): 41.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.411 cm3; (15)Molar Volume: 127.286 cm3; (16)Polarizability: 16.416×10-24cm3; (17)Surface Tension: 49.221 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 184.239 °C; (20)Enthalpy of Vaporization: 66.376 kJ/mol; (21)Boiling Point: 381.027 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of N-(Hydroxymethyl)benzamide: this chemical can be prepared by benzamide with formaldehyde. This reaction needs reagent K2CO3 and solvent H2O at ambient temperature. The reaction time is 2 hours. The yield is 50 %.
Uses of N-(Hydroxymethyl)benzamide: (1) it is used as dyes intermediates, and also in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with benzoic acid to get 3-(benzoylamino-methyl)-benzoic acid. This is condensation reaction and the reaction occurs with reagent H2SO4. The yield is 70 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting 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: O=C(NCO)c1ccccc1
(2) InChI: InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
(3) InChIKey: UOUBPDZUBVJZOQ-UHFFFAOYSA-N