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| CAS No.: | 52574-08-0 |
|---|---|
| Name: | S-ACETAMIDOMETHYL-3-MERCAPTOPROPIONIC ACID |
| Molecular Structure: | |
|
|
|
| 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 |
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N-(hydroxymethyl)acetamide
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3-mercaptopropionic acid
- 52574-08-0
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With trifluoroacetic acid for 2.5h; | 17.1% |
- 52574-08-0
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
- 329348-46-1
methyl (S)-7-({3-[(acetylamino)methylsulfanyl]propionyl}amino)-3-{[(tert-butoxy)carbonyl]amino}haptanoate
| Conditions | Yield |
|---|---|
| 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
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Z-Gly-Glu(O-But)-Arg(Adoc)2-OH
- 86095-70-7
Acm-SCH2.CH2CO.Gly.Glu.(OBut).Arg(Adoc)2OH
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| Multistep reaction; |
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(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
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 52574-08-0
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
- 2757-23-5
chloro(chlorosulfanyl)methanone
- 100-61-8
N-methylaniline
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 1.) CHCl3, 10 min, 2.) CHCl3, 20 min; Yield given. Multistep reaction; |
- 52574-08-0
3-{[(acetylamino)methyl]sulfanyl}-propionic acid
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| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| Multistep reaction.; |
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Chemistry
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
Safety Profile
Hazard Codes: 
Xn
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) .