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CAS No.: | 598-55-0 |
---|---|
Name: | Methyl carbamate |
Article Data: | 88 |
Molecular Structure: | |
Formula: | C2H5NO2 |
Molecular Weight: | 75.0672 |
Synonyms: | Methylurethane;NSC 3054;Urethylane; |
EINECS: | 209-939-2 |
Density: | 1.092 g/cm3 |
Melting Point: | 56-58 °C(lit.) |
Boiling Point: | 178.7 °C at 760 mmHg |
Flash Point: | 105.2 °C |
Solubility: | 700 g/L (20 °C) in water |
Appearance: | white adhering crystals |
Hazard Symbols: | Xn |
Risk Codes: | 36-40 |
Safety: | 26-36/37-22 |
PSA: | 52.32000 |
LogP: | 0.41180 |
Conditions | Yield |
---|---|
With alumina supported titanium dioxide-bismuth oxide metal oxide catalyst at 120℃; for 8h; Sealed tube; | 99.41% |
Stage #1: methanol; urea at 30℃; for 20h; Autoclave; Stage #2: With carbon dioxide; 6O4P(3-)*5Ni(2+)*5Ca(2+)*2F(1-) at 160℃; under 4500.45 Torr; for 6h; Temperature; Concentration; | 98.9% |
With silica supported titanium dioxide at 160℃; under 17251.7 Torr; for 8h; Temperature; Pressure; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With Na-ZnO-ZrO2 / γ-Al2O3 at 180℃; for 6h; Temperature; Reagent/catalyst; Autoclave; | 98.8% |
Conditions | Yield |
---|---|
With ammonia In diethyl ether for 0.0833333h; | A 78% B 92% |
methanol
1,2-bis(1-isocyanato-1-methylethyl)diazene
A
5,5-dimethyl-Δ1-1,2,4-triazolin-3-one
B
methyl carbamate
Conditions | Yield |
---|---|
for 2h; Product distribution; Mechanism; Heating; other alcohols; var. reaction time; var. temperatures; | A 90% B n/a C n/a D n/a |
for 2h; Heating; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With ammonia In ethanol at 18 - 25℃; for 24h; | A n/a B 90% |
Conditions | Yield |
---|---|
at 179.84℃; for 10h; | A 84.8% B 6.5% |
With zinc/aluminum mixed oxide at 179.84℃; for 10h; Reagent/catalyst; Autoclave; | A 55.1% B 36.5% |
calcined La(NO3)3x6H2O at 170℃; under 14821 Torr; for 4h; Product distribution / selectivity; Autoclave; Inert atmosphere; | A 41.2% B 53.4% |
With Zn/Ca-catalyst at 179.84℃; for 10h; | A 50.5% B 41.2% |
With Ga2O3/CeO2-Al2O3 at 110℃; for 5h; |
Conditions | Yield |
---|---|
With para-dodecylbenzenesulfonic acid In neat (no solvent) at 60℃; for 0.5h; Green chemistry; | 80% |
With DBSA at 60℃; for 1h; |
Conditions | Yield |
---|---|
With triethylamine In methanol; dichloromethane; ethyl acetate | 78% |
With ammonia; benzene | |
With potassium hydrogencarbonate In water |
methanol
2,4-dioxo-6-methyl-3,4-dihydro-2H-1,3-oxazine
A
acetoacetic acid methyl ester
B
methyl carbamate
Conditions | Yield |
---|---|
With triethylamine for 24h; Heating; | A 70% B 15% |
3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene
methyl chloroformate
methyl carbamate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In butanone | 66% |
The Methyl carbamate, with the CAS registry number 598-55-0 and EINECS registry number 209-939-2, is also known as Methoxyformamide. And the molecular formula of this chemical is C2H5NO2. It is a carbamate ester with th apperance of white adhering crystals. What's more, it is used by the textile industry to manufacture resins to be applied on polyester/cotton blend fabrics as durable-press finishes. And it is also used as intermediate in the pharmaceuticals and Pesticide industry. In addition, it is used as selective solvent for dutrex.
The physical properties of Methyl carbamate are as following: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.15; (8)ACD/KOC (pH 7.4): 10.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 16.62 cm3; (15)Molar Volume: 68.7 cm3; (16)Polarizability: 6.59×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.092 g/cm3; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 41.5 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 0.976 mmHg at 25°C.
Preparation of Methyl carbamate: Heat methyl alcohol to boil, and add urea with stirring. Reflux for 30 hours, and leach for 2 times with boiling sherwood oil. Collect the 175-177 °C distillates after fractionation, and the distillates are the desired product. The yield is about 75%.
1. ClCOOCH3 + 2NH3 → NH2COOCH3
2. NH2CONH2 + CH3OH → NH2COOCH3 + NH3
You should be cautious while dealing with this chemical. It irritates eyes, and there's limited evidence of a carcinogenic effect about this chemical. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)N
(2)InChI: InChI=1/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
(3)InChIKey: GTCAXTIRRLKXRU-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 6200mg/kg (6200mg/kg) | National Toxicology Program Technical Report Series. Vol. NTP-TR-328, Pg. 1987, | |
mouse | LD50 | subcutaneous | 4450mg/kg (4450mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Australian Journal of Experimental Biology and Medical Science. Vol. 45, Pg. 507, 1967. |
mouse | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | Toxicology and Applied Pharmacology. Vol. 23, Pg. 288, 1972. | |
quail | LD50 | oral | 21mg/kg (21mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Ecotoxicology and Environmental Safety. Vol. 8, Pg. 551, 1984. |
rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 161, 1992. |
rat | LD50 | oral | 2500mg/kg (2500mg/kg) | National Toxicology Program Technical Report Series. Vol. NTP-TR-328, Pg. 1987, |