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| CAS No.: | 621-84-1 |
|---|---|
| Name: | Benzyl carbamate |
| Molecular Structure: | |
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|
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | Carbamicacid, benzyl ester (6CI,7CI,8CI);Benzyl aminoformate;Carbamyl benzyl ester;NSC 25317;O-Benzylcarbamate; |
| EINECS: | 210-710-4 |
| Density: | 1.168 g/cm3 |
| Melting Point: | 86-89 °C(lit.) |
| Boiling Point: | 318.723 °C at 760 mmHg |
| Flash Point: | 182.584 °C |
| Solubility: | 68.02g/L(37 oC) |
| Appearance: | Off-white to light beige powder or flakes |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 52.32000 |
| LogP: | 1.98220 |
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- 621-84-1
O-benzyl carbamate
- 35660-91-4, 35845-66-0, 495-41-0
(E)-1-phenyl-2-buten-1-one
| Conditions | Yield |
|---|---|
| With gold(III) chloride In dichloromethane at 20℃; for 2h; Product distribution; Further Variations:; Reagents; Aza-Michael reaction; | 100% |
| iridium tetrachloride for 2h; Product distribution / selectivity; Aza-Michael reaction; | 100% |
| osmium (III) chloride for 6h; Product distribution / selectivity; Aza-Michael reaction; | 96% |
| Conditions | Yield |
|---|---|
| In toluene at 40℃; | 100% |
| In toluene at 40℃; for 3.5h; | 100% |
| In toluene at 40℃; for 3.5h; Large scale reaction; | 96% |
| In diethyl ether at 20℃; for 10h; |
- 621-84-1
O-benzyl carbamate
- 873-55-2
sodium benzenesulfonate
- 105-07-7
4-cyanobenzaldehyde
- 1220349-77-8
benzyl (4-cyanophenyl)(phenylsulfonyl)methylcarbamate
| Conditions | Yield |
|---|---|
| With formic acid In tetrahydrofuran; water at 22℃; Inert atmosphere; | 100% |
- 924-44-7
glyoxylic acid ethyl ester
- 621-84-1
O-benzyl carbamate
- 104473-51-0
ethyl 2-(((benzyloxy)carbonyl)amino)-2-hydroxyacetate
| Conditions | Yield |
|---|---|
| In ethyl acetate at 60℃; for 24h; | 100% |
| With acetic acid In ethyl acetate; toluene at 60℃; for 14h; Inert atmosphere; | 97% |
| With acetic acid In ethyl acetate at 60℃; for 14h; Inert atmosphere; | 81% |
- 924-44-7
glyoxylic acid ethyl ester
- 621-84-1
O-benzyl carbamate
- 134746-23-9
ethyl 2-(((benzyloxy)carbonyl)amino)-2-chloroacetate
| Conditions | Yield |
|---|---|
| With acetic acid; acetyl chloride In chloroform at 60℃; for 12h; Solvent; Inert atmosphere; | 100% |
| With acetic acid; acetyl chloride In chloroform at 60℃; for 12h; | 98% |
| With thionyl chloride In chloroform; toluene for 12h; Inert atmosphere; Schlenk technique; Reflux; | 93% |
- 621-84-1
O-benzyl carbamate
- 64805-08-9
ethyl glyoxalate hydrate
- 134746-23-9
ethyl 2-(((benzyloxy)carbonyl)amino)-2-chloroacetate
| Conditions | Yield |
|---|---|
| With thionyl chloride In chloroform; toluene at 60℃; for 6h; Reagent/catalyst; Inert atmosphere; | 100% |
| With acetic acid; acetyl chloride In chloroform at 60℃; for 12h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With acetic acid; acetyl chloride In chloroform at 60℃; for 16h; Inert atmosphere; | 100% |
- 621-84-1
O-benzyl carbamate
- 64805-08-9
ethyl glyoxalate hydrate
- 577973-96-7
N-Cbz-α-bromoglycine ethyl ester
| Conditions | Yield |
|---|---|
| With Acetyl bromide; acetic acid In chloroform; toluene at 20℃; for 6.5h; Reagent/catalyst; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran at 45℃; for 19h; Arylation; | 99% |
- 621-84-1
O-benzyl carbamate
- 61752-66-7
(E)-1-phenyl-2-penten-1-one
| Conditions | Yield |
|---|---|
| copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 20℃; for 3h; | 99% |
| With Nafion(R) SAC-13 In acetonitrile at 20℃; for 24h; | 99% |
| With toluene-4-sulfonic acid In acetonitrile at 20℃; for 72h; Product distribution; Further Variations:; Reagents; reaction times; aza-Michael addition; | 99% |
| With copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 20℃; for 3h; aza-Michael addition; | 99% |
| dichloro bis(acetonitrile) palladium(II) In dichloromethane at 20℃; for 24h; | 99% |
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Specification
The Benzyl carbamate, with the CAS registry number 621-84-1, is also known as Carbamyl benzyl ester. It belongs to the product categories of Heterocycles; Nitrogen Compounds; Organic Building Blocks; Protected Amines; Building Blocks; Chemical Synthesis; Nitrogen Compounds. Its EINECS number is 210-710-4. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its systematic name is Benzyl carbamate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as organic synthesis intermediates. This chemical is a carbamate which is often used an amine protecting group in organic synthesis. It is commonly used in peptide synthesis. It is used to protect amines from electrophiles.
Physical properties of Benzyl carbamate are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.83; (6)ACD/BCF (pH 7.4): 5.83; (7)ACD/KOC (pH 5.5): 122.91; (8)ACD/KOC (pH 7.4): 122.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 41.112 cm3; (15)Molar Volume: 129.41 cm3; (16)Polarizability: 16.298×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 182.584 °C; (20)Enthalpy of Vaporization: 56.025 kJ/mol; (21)Boiling Point: 318.723 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by carbonochloridic acid benzyl ester at the temperature of 0 °C. This reaction will need reagent conc. ammonium hydroxide. The yield is about 92%.
Uses of Benzyl carbamate: it can be used to produce Malonyl-di-benzylurethan at the temperature of 100 - 110 °C. It will need reagent acetic anhydride. The yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. You should not breathe dust. When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N
(2)Std. InChI: InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
(3)Std. InChIKey: PUJDIJCNWFYVJX-UHFFFAOYSA-N