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| CAS No.: | 74974-54-2 |
|---|---|
| Name: | 1,1,1-Trimethoxy-2-chloroethane |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11ClO3 |
| Molecular Weight: | 154.594 |
| Synonyms: | 1-Chloro-2,2,2-trimethoxyethane;2-Chloro-1,1,1-trimethoxyethane;Trimethyl (chloromethyl)orthoformate;Trimethyl orthochloroacetate; |
| EINECS: | 629-378-0 |
| Density: | 1.092 g/cm3 |
| Boiling Point: | 143.215 °C at 760 mmHg |
| Flash Point: | 40.85 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 10 |
| Safety: | 16-45 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 27.69000 |
| LogP: | 0.81820 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid In methanol at -10 - 45℃; for 2h; Concentration; Temperature; | 95.1% |
| With sulfuric acid In methanol at 20℃; |
- 1445-45-0
Trimethyl orthoacetate
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| With sodium methylate; chlorine at 15℃; for 4h; | 76% |
| With methanol; chlorine at 15℃; for 4h; | 69% |
| With chlorine at 15℃; for 4h; | 67% |
| With tert-butylhypochlorite In tetrachloromethane at 50 - 60℃; for 0.25h; | 57% |
| With hydrogenchloride; N-chloro-succinimide In methanol at 70 - 80℃; for 3.5h; | 32% |
- 67-56-1
methanol
- 70737-12-1
methyl 2-chloroacetimidate hydrochloride
A
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
B
- 79-07-2
Chloroacetamide
| Conditions | Yield |
|---|---|
| at 20℃; for 24h; | A 65% B n/a |
- 67-56-1
methanol
- 430-58-0
1,2-dichloro-2-fluoroethene
A
- 42345-81-3
1,2-dichloro-1-methoxy-ethene
B
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| With sodium at 60 - 70℃; for 3h; | |
| With sodium at 60 - 70℃; for 3h; Title compound not separated from byproducts; |
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 60℃; | 100% |
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetonitrile at 60℃; for 1.5h; | 98.5% |
- 563-41-7
semicarbazide hydrochloride
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
- 252742-72-6
3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 72h; | 98% |
| In methanol at 20℃; | 62% |
| In methanol at 20℃; for 72h; | |
| In methanol at 20℃; for 144h; | |
| In methanol at 20℃; for 3h; |
- 871732-09-1
1-(2-O-tert-butyldimethylsilyloxy-6-methoxyphenyl)-3-methylbut-3-en-1-ol
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
- 871732-15-9
methyl (4E)-6-(2-O-tert-butyldimethylsilyloxy-6-methoxyphenyl)-2-chloro-4-methylhex-4-enoate
| Conditions | Yield |
|---|---|
| With propionic acid In xylene at 145℃; Claisen-Johnson ortho ester rearrangement; | 98% |
- 6343-98-2
2-hydrazino-5-nitropyridine
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| In ethanol for 1h; Reflux; | 95% |
- 74974-54-2
2-chloro-1,1,1-trimethoxyethane
| Conditions | Yield |
|---|---|
| Stage #1: methyl 4-amino-3-{[(2S)-oxetan-2-ylmethyl]amino}benzoate; 2-chloro-1,1,1-trimethoxyethane With toluene-4-sulfonic acid In acetonitrile at 50℃; for 2h; Stage #2: 3-fluoro-4-(((6-(piperidin-4-yl)pyridiny-2-yl)oxy)methyl)nemzonitrile bis(4-methylbenzenesulfonate) With potassium carbonate In acetonitrile for 2h; | 95% |
| Stage #1: methyl 4-amino-3-{[(2S)-oxetan-2-ylmethyl]amino}benzoate; 2-chloro-1,1,1-trimethoxyethane With toluene-4-sulfonic acid In acetonitrile at 50℃; for 2h; Stage #2: 3-fluoro-4-(((6-(piperidin-4-yl)pyridiny-2-yl)oxy)methyl)nemzonitrile bis(4-methylbenzenesulfonate) With potassium carbonate In acetonitrile at 50℃; for 2h; | 95% |
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Specification
The 1,1,1-Trimethoxy-2-chloroethane, with the CAS registry number 74974-54-2, is also known as Trimethyl (chloromethyl)orthoformate. This chemical's molecular formula is C5H11ClO3 and molecular weight is 154.59. What's more, its systematic name is 2-Chloro-1,1,1-trimethoxyethane.
Physical properties of 1,1,1-Trimethoxy-2-chloroethane are: (1)ACD/LogP: 0.916; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.92; (7)ACD/KOC (pH 5.5): 75.01; (8)ACD/KOC (pH 7.4): 75.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 35.264 cm3; (15)Molar Volume: 141.589 cm3; (16)Polarizability: 13.98×10-24cm3; (17)Surface Tension: 27.29 dyne/cm; (18)Density: 1.092 g/cm3; (19)Flash Point: 40.85 °C; (20)Enthalpy of Vaporization: 36.465 kJ/mol; (21)Boiling Point: 143.215 °C at 760 mmHg; (22)Vapour Pressure: 6.77 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,1,1-trimethoxy-ethane at the temperature of 50 - 60 °C. This reaction will need reagent t-BuOCl and solvent CCl4 with the reaction time of 15 min. The yield is about 57%.
Uses of 1,1,1-Trimethoxy-2-chloroethane: it can be used to produce 2-chloromethyl-4-nitro-benzooxazole at the temperature of 65 °C. It will need reagent p-TsOH·H2O and solvent ethanol with the reaction time of 22 hours. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(OC)(OC)OC
(2)Std. InChI: InChI=1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
(3)Std. InChIKey: NPEIUNVTLXEOLT-UHFFFAOYSA-N