CAS No.3373-59-9,L-THREONINE METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3373-59-9
Name:	L-THREONINE METHYL ESTER
Article Data:	43

Formula:	C₅H₁₁NO₃
Molecular Weight:	133.147
Synonyms:	Threonine methyl ester;NSC 287508;Methyl threoninate;MethylL-threoninate;Methyl 2(S):3(R)-threoninate;Threonine,methyl ester, L- (6CI,7CI,8CI);
EINECS:	222-158-1
Density:	1.143 g/cm³
Melting Point:	213-214 °C
Boiling Point:	238.58 °C at 760 mmHg
Flash Point:	98.09 °C
PSA:	72.55000
LogP:	-0.43220

Synthetic route

: 67-56-1
methanol

: 72-19-5
L-threonine

: 3373-59-9
L-threonine methyl ester

Conditions

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

Conditions	Yield
With toluene-4-sulfonic acid In acetone at 10 - 25℃; for 2h;	70%

: 67-56-1
methanol

: (3S,6R,1''S)-5-ethoxy-3-(1''-hydroxyethyl)-6-methyl-3,6-dihydro-1H-pyrazine-2-one

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

Conditions	Yield
Multistep reaction;

...Expand

: 72-19-5
L-threonine

: 3373-59-9
L-threonine methyl ester

Conditions

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

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

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

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

Conditions	Yield
With triethylamine In acetonitrile at 0 - 20℃; for 18.5h; Substitution;	98%

: 60397-83-3
N-acetyl-(S)-alanine cyanomethyl ester

: 3373-59-9
L-threonine methyl ester

: C10H18N2O5

Conditions

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

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane	97%

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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