Product Name

  • Name

    S-ACETAMIDOMETHYL-3-MERCAPTOPROPIONIC ACID

  • EINECS
  • CAS No. 52574-08-0
  • Article Data4
  • CAS DataBase
  • Density 1.247±0.06 g/cm3(Predicted)
  • Solubility
  • Melting Point 24oC
  • Formula C6H11 N O3 S
  • Boiling Point 430.1±30.0 °C(Predicted)
  • Molecular Weight 177.224
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R20/21/22; R36/37/38
  • Molecular Structure Molecular Structure of 52574-08-0 (S-ACETAMIDOMETHYL-3-MERCAPTOPROPIONIC ACID)
  • Hazard Symbols Xn
  • Synonyms b-(Acetamidomethylthio)propionicacid
  • PSA 91.70000
  • LogP 0.67880

Synthetic route

N-(hydroxymethyl)acetamide
625-51-4

N-(hydroxymethyl)acetamide

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

Conditions
ConditionsYield
In trifluoroacetic acid for 0.5h; Ambient temperature;62%
3-(tritylthio) propanoic acid
27144-18-9

3-(tritylthio) propanoic acid

N-(hydroxymethyl)acetamide
625-51-4

N-(hydroxymethyl)acetamide

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

Conditions
ConditionsYield
With trifluoroacetic acid for 2.5h;17.1%
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

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

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

methyl (S)-7-({3-[(acetylamino)methylsulfanyl]propionyl}amino)-3-{[(tert-butoxy)carbonyl]amino}haptanoate
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%
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

Z-Gly-Glu(O-But)-Arg(Adoc)2-OH
86095-68-3

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

Acm-SCH2.CH2CO.Gly.Glu.(OBut).Arg(Adoc)2OH
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%
N-tert-butoxycarbonyl-L-phenylalanine
13734-34-4

N-tert-butoxycarbonyl-L-phenylalanine

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

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

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

Conditions
ConditionsYield
Multistep reaction;
...Expand
(3S)-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinole-3-carboxylic acid
115962-35-1, 144069-68-1, 78879-20-6

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

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

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

(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;
...Expand
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

chloro(chlorosulfanyl)methanone
2757-23-5

chloro(chlorosulfanyl)methanone

N-methylaniline
100-61-8

N-methylaniline

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

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

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

(chlorocarbonyl)disulfanyl chloride

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

N-methylaniline
100-61-8

N-methylaniline

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

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

Conditions
ConditionsYield
1.) CHCl3, 10 min, 2.) CHCl3, 20 min; Yield given. Multistep reaction;
...Expand
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
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

[Mpr(S-Acm)(1)Val(5)]angiotensin II
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;
N-Fmoc L-Phe
35661-40-6

N-Fmoc L-Phe

Fmoc-Trp-OH
35737-15-6

Fmoc-Trp-OH

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

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

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.;
...Expand
N-Fmoc L-Phe
35661-40-6

N-Fmoc L-Phe

Fmoc-Trp-OH
35737-15-6

Fmoc-Trp-OH

3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

N-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-(2-((acetamidomethyl)thio)ethyl)glycine
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,25R)-25-Amino-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

2-[(7S,10S,13S,16R,19S,22S,25R)-25-Amino-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.;
...Expand
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
52574-08-0

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

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

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 92 percent / Et3N; EDC; HOBt / CHCl3 / 23 h / 0 - 20 °C
2: 74 percent / aq. NaOH / methanol / 21.5 h
View Scheme

3-(Acetamidomethylthio)propanoic acid Chemical Properties

Molecular Structure of 3-(Acetamidomethylthio)propanoic acid (CAS No.52574-08-0):
 
Molecular Formula: C6H11NO3S 
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

3-(Acetamidomethylthio)propanoic acid 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.

3-(Acetamidomethylthio)propanoic acid 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) .

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