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52574-08-0

Basic Information
CAS No.: 52574-08-0
Name: S-ACETAMIDOMETHYL-3-MERCAPTOPROPIONIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 52574-08-0 (S-ACETAMIDOMETHYL-3-MERCAPTOPROPIONIC ACID)
Formula: C6H11 N O3 S
Molecular Weight: 177.224
Synonyms: b-(Acetamidomethylthio)propionicacid
Density: 1.247±0.06 g/cm3(Predicted)
Melting Point: 24oC
Boiling Point: 430.1±30.0 °C(Predicted)
Hazard Symbols: Xn
Risk Codes: R20/21/22; R36/37/38
PSA: 91.70000
LogP: 0.67880
Synthetic route
625-51-4

N-(hydroxymethyl)acetamide

107-96-0

3-mercaptopropionic acid

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

Conditions
ConditionsYield
In trifluoroacetic acid for 0.5h; Ambient temperature;62%
27144-18-9

3-(tritylthio) propanoic acid

625-51-4

N-(hydroxymethyl)acetamide

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

Conditions
ConditionsYield
With trifluoroacetic acid for 2.5h;17.1%
52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

methyl (S)-7-amino-3{[(tert-butoxy)carbonyl]amino}heptanoate

329348-46-1

methyl (S)-7-({3-[(acetylamino)methylsulfanyl]propionyl}amino)-3-{[(tert-butoxy)carbonyl]amino}haptanoate

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In chloroform at 0 - 20℃; for 23h;92%
52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

86095-68-3

Z-Gly-Glu(O-But)-Arg(Adoc)2-OH

86095-70-7

Acm-SCH2.CH2CO.Gly.Glu.(OBut).Arg(Adoc)2OH

Conditions
ConditionsYield
With 4-methyl-morpholine; pivaloyl chloride In N,N-dimethyl-formamide for 2h;59%
13734-34-4

N-tert-butoxycarbonyl-L-phenylalanine

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

13850-91-4, 45170-31-8, 89536-85-6

(R)-2-(tert-butoxycarbonyl(methyl)amino)-3-methylbutanoic acid

(S)-2-((R)-2-{[3-(Acetylamino-methylsulfanyl)-propionyl]-methyl-amino}-3-methyl-butyrylamino)-3-phenyl-propionic acid

Conditions
ConditionsYield
Multistep reaction;
115962-35-1, 144069-68-1, 78879-20-6

(3S)-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinole-3-carboxylic acid

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

13850-91-4, 45170-31-8, 89536-85-6

(R)-2-(tert-butoxycarbonyl(methyl)amino)-3-methylbutanoic acid

(S)-2-((R)-2-{[3-(Acetylamino-methylsulfanyl)-propionyl]-methyl-amino}-3-methyl-butyryl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

Conditions
ConditionsYield
Multistep reaction;
52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

2757-23-5

chloro(chlorosulfanyl)methanone

100-61-8

N-methylaniline

S-[(N-methyl-N-phenylcarbamoyl)sulfenyl]-β-thiopropionic acid

Conditions
ConditionsYield
1.) CHCl3, 10 min, 2.) CHCl3, 20 min; Yield given. Multistep reaction;
79341-73-4

(chlorocarbonyl)disulfanyl chloride

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

100-61-8

N-methylaniline

S-[(N-methyl-N-phenylcarbamoyl)disulfanyl]-β-thiopropionic acid

Conditions
ConditionsYield
1.) CHCl3, 10 min, 2.) CHCl3, 20 min; Yield given. Multistep reaction;
52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

Arg-Val-Tyr-Val-His-Pro-Phe-OH-resin

Arg-Val-Tyr-Val-His-Pro-Phe-OH-resin

184353-68-2

[Mpr(S-Acm)(1)Val(5)]angiotensin II

Conditions
ConditionsYield
With hydrogen fluoride; benzotriazol-1-ol; dicyclohexyl-carbodiimide 1.) DMF/CH2Cl2; Multistep reaction;
35661-40-6

N-Fmoc L-Phe

35737-15-6

Fmoc-Trp-OH

52574-08-0

3-{[(acetylamino)methyl]sulfanyl}-propionic acid

425428-82-6

N-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-(2-((acetamidomethyl)thio)ethyl)glycine

Fmoc-D-Trp-OH

Fmoc-D-Trp-OH

Fmoc-Lys-OH Fmoc-Thr(t-Bu)-OH

Fmoc-Lys-OH Fmoc-Thr(t-Bu)-OH

2-[(7S,10S,13S,16R,19S,22S)-13-(4-Amino-butyl)-7,22-dibenzyl-10-((R)-1-hydroxy-ethyl)-16,19-bis-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclohexacos-5-yl]-acetamide

Conditions
ConditionsYield
Multistep reaction.;
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Chemistry

Molecular Structure of 3-(Acetamidomethylthio)propanoic acid (CAS No.52574-08-0):
 
Molecular Formula: C6H11NO3
Molecular Weight: 177.2214
CAS No: 52574-08-0
Product Categories: Other Reagents
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 71.91 Å2
Index of Refraction: 1.517
Molar Refractivity: 43.03 cm3
Molar Volume: 142.1 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.247 g/cm3
Flash Point: 213.9 °C
Enthalpy of Vaporization: 75.18 kJ/mol
Boiling Point: 430.1 °C at 760 mmHg
Vapour Pressure: 1.33E-08 mmHg at 25°C
InChI: InChI=1/C6H11NO3S/c1-5(8)7-4-11-3-2-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey: MTYMWQMQMYUQBD-UHFFFAOYAM
Std. InChI: InChI=1S/C6H11NO3S/c1-5(8)7-4-11-3-2-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
Std. InChIKey: MTYMWQMQMYUQBD-UHFFFAOYSA-N

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

Specification

  3-(Acetamidomethylthio)propanoic acid (CAS No.52574-08-0), its synonyms are S-Acetamidomethyl-3-mercaptopropionic acid ; S-acetamidomethyl-deamino-cysteine ; S-(acetyl-aminomethyl)-3-mercaptopropionic acid;mpa(acm)-oh ; (acm)sch2ch2cooh ; 3-Mercaptopropionic acid(acm) .