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Cas Database

Name	Telmesteine	EINECS	1533716-785-6
CAS No.	122946-43-4	Density	1.409 g/cm³
PSA	92.14000	LogP	0.54030
Solubility	N/A	Melting Point	98oC
Formula	C₇H₁₁NO₄S	Boiling Point	386.2 °C at 760 mmHg
Molecular Weight	205.235	Flash Point	187.4 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (R)-;Telmesteine;(4R)-3-[(Ethyloxy)carbonyl]-1,3-thiazolidine-4-carboxylic Acid;(-)-3-Ethyl hydrogen (R)-3,4-thiazolidinedicarboxylate;	Article Data	2

Telmesteine Synthetic route

: 541-41-3
chloroformic acid ethyl ester

: 34592-47-7
L-thioproline

: 122946-43-4
telmesteine

Conditions

Conditions	Yield
With TEA; water In acetone at 0℃; for 0.75h;

: 541-41-3
chloroformic acid ethyl ester

calcium salt of/the/ (R)-thiazolidine-4-carboxylic acid: calcium salt of/the/ (R)-thiazolidine-4-carboxylic acid

: 122946-43-4
telmesteine

Conditions

Conditions	Yield
With water

: 122946-43-4
telmesteine

: C9H11NO4

: C16H20N2O7S

Conditions

Conditions	Yield
With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In tetrahydrofuran at 20℃; for 2h;	20%

: 122946-43-4
telmesteine

: 1026526-61-3
(R)-4-Azidocarbonyl-thiazolidine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium azide In water; acetone at 0℃; for 5h;

: 122946-43-4
telmesteine

: (R)-4-Carbamoyl-thiazolidine-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaN3 / acetone; H2O / 5 h / 0 °C 2: benzene / 5 h / Heating View Scheme

: 122946-43-4
telmesteine

: Ethyl 4-<(tert-Butoxycarbonyl)amino>-1,3-thiazolidine-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaN3 / acetone; H2O / 5 h / 0 °C 2: benzene / 5 h / Heating 3: 40 h / Heating View Scheme

: 122946-43-4
telmesteine

: N-<(1R)-1-Phenylethyl>-N'-<(4S)-3-(ethoxycarbonyl)-4-thiazolidinyl>urea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaN3 / acetone; H2O / 5 h / 0 °C 2: benzene / 5 h / Heating View Scheme

: 122946-43-4
telmesteine

: N,N'-Di<(4S)-3-(ethoxycarbonyl)-4-thiazolidinyl>urea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaN3 / acetone; H2O / 5 h / 0 °C 2: H2O / benzene / 20 h / Heating View Scheme

: 122946-43-4
telmesteine

: 219497-48-0
C17H15Cl3N2O3

: C24H24Cl3N3O6S

Conditions

Conditions	Yield
Stage #1: telmesteine With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide); dichloromethane at 0 - 5℃; for 0.166667h; Stage #2: C17H15Cl3N2O3 With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane at 0 - 20℃; for 1.5h;

Telmesteine Specification

The 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (4R)-, with the CAS registry number 123054-31-9, is also known as 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (R)-. This chemical's molecular formula is C₇H₁₁NO₄S and molecular weight is 205.23. What's more, its systematic name is (4R)-3-(ethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Physical properties of 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (4R)- are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -3.47; (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): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.14 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 47.25 cm³; (15)Molar Volume: 145.6 cm³; (16)Polarizability: 18.73×10^-24 cm³; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 187.4 °C; (20)Enthalpy of Vaporization: 69.72 kJ/mol; (21)Boiling Point: 386.2 °C at 760 mmHg; (22)Vapour Pressure: 4.88×10^-7 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N1CSC[C@H]1C(=O)O
(2)InChI: InChI=1/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
(3)InChIKey: XBJWOGLKABXFJE-YFKPBYRVBN

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