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Cas Database |
| Name |
Methyl L-threoninate |
EINECS | 222-158-1 |
| CAS No. | 3373-59-9 | Density | 1.143 g/cm3 |
| PSA | 72.55000 | LogP | -0.43220 |
| Solubility | N/A | Melting Point |
213-214 °C |
| Formula | C5H11NO3 | Boiling Point | 238.58 °C at 760 mmHg |
| Molecular Weight | 133.147 | Flash Point | 98.09 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Threonine methyl ester;NSC 287508;Methyl threoninate;MethylL-threoninate;Methyl 2(S):3(R)-threoninate;Threonine,methyl ester, L- (6CI,7CI,8CI); |
Article Data | 43 |
Methyl L-threoninate Synthetic route
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0℃; for 25h; Temperature; Reflux; | 80% |
| With hydrogenchloride Heating; | |
| With hydrogenchloride for 5h; Heating; Yield given; |
- 60538-19-4, 79479-07-5, 96099-84-2, 113525-91-0
N-(tert-butoxycarbonyl)-l-threonine methyl ester
- 3373-59-9
L-threonine methyl ester
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetone at 10 - 25℃; for 2h; | 70% |
- 67-56-1
methanol
A
- 3373-59-9, 53216-06-1, 68331-48-6, 79617-28-0, 82679-55-8, 118525-51-2
(2S,3S)-methyl 2-amino-3-hydroxybutanoate
B
- 3373-59-9
L-threonine methyl ester
| Conditions | Yield |
|---|---|
| Multistep reaction; |
| Conditions | Yield |
|---|---|
| With thionyl chloride In methanol |
- 3373-59-9
L-threonine methyl ester
- 76-83-5
trityl chloride
- 74481-55-3
methyl (2S,3R)-3-hydroxy-2-triphenylmethylaminobutanoate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
| With triethylamine In chloroform at 20℃; Alkylation; triphenylmethylation; tritylation; | 89% |
- 3373-59-9
L-threonine methyl ester
- 670233-20-2
(4S,5R)-4-[(Z)-(S)-3-(tert-Butyl-diphenyl-silanyloxy)-1-carboxy-but-1-enylcarbamoyl]-2,2,5-trimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
- 670233-21-3
(4S,5R)-4-[(Z)-(S)-3-(tert-Butyl-diphenyl-silanyloxy)-1-((1S,2R)-2-hydroxy-1-methoxycarbonyl-propylcarbamoyl)-but-1-enylcarbamoyl]-2,2,5-trimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine | 100% |
- 3373-59-9
L-threonine methyl ester
- 39994-75-7
L-threonine methyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 20℃; for 18h; Inert atmosphere; | 100% |
- 3373-59-9
L-threonine methyl ester
- 2937-50-0
Allyl chloroformate
- 221351-00-4
N-Allyloxycarbonyl-L-threonine methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 0 - 20℃; for 18.5h; Substitution; | 98% |
| Conditions | Yield |
|---|---|
| With acetic acid In tetrahydrofuran for 16h; Microwave irradiation; | 98% |
- 3373-59-9
L-threonine methyl ester
- 65635-85-0
N-methyl-N-(benzyloxycarbonyl)-D-leucine
- 120448-64-8
-threonine methyl ester
| Conditions | Yield |
|---|---|
| With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane | 97% |
Methyl L-threoninate Specification
This chemical is called Methyl L-threoninate, and it can also be named as L-Threonine, methyl ester. With the molecular formula of C5H11NO3, its molecular weight is 133.15. The CAS registry number of this chemical is 3373-59-9.
Other characteristics of the Methyl L-threoninate can be summarised as followings: (1)ACD/LogP: -1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.55 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 31.976 cm3; (15)Molar Volume: 116.488 cm3; (16)Polarizability: 12.676×10-24cm3; (17)Surface Tension: 41.884 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 98.09 °C; (20)Enthalpy of Vaporization: 55.257 kJ/mol; (21)Boiling Point: 238.58 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)[C@@H](N)C(O)C
2.InChI: InChI=1/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3/t3?,4-/m0/s1
3.InChIKey: TVHCXXXXQNWQLP-BKLSDQPFBD
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