- 16252-88-32,1,3-Benzothiadiazole,5-nitro-
- 16252-90-72-Amino-2-methylpropanamide
- 162536-40-5Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester
- 162536-54-1CBZ-ALPHA-ME
- 162537-11-3L-Valine,N-(methoxycarbonyl)-3-methyl-
- 162548-73-41H-Inden-1-one,4,6-difluoro-2,3-dihydro-
- 16255-48-4Octadecanoic acid,(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
- 162558-25-0L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
- 162558-52-3Quinolinium,1-(2-ethoxy-2-oxoethyl)-6-methoxy-, bromide (1:1)
- 162559-45-7L-Leucine,L-leucyl-L-seryl-L-lysyl-
Hot Products
- 111974-72-2Quetiapine fumarate
- 183321-74-6Erlotinib
- 140462-76-6Olopatadine hydrochloride
- 56-41-7L-Alanine
- 21187-98-4Gliclazide
- 99-76-3Methylparaben
- 161798-01-25-Thiazolecarboxylicacid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester
- 3380-34-5Triclosan
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid |
EINECS | 420-240-3 |
| CAS No. | 162515-68-6 | Density | 1.229 g/cm3 |
| PSA | 76.10000 | LogP | 1.17110 |
| Solubility | N/A | Melting Point |
42-45 °C |
| Formula | C6H10O2S | Boiling Point | 290.1 °C at 760 mmHg |
| Molecular Weight | 146.21 | Flash Point | 129.249 °C |
| Transport Information | N/A | Appearance | off-white solid |
| Safety | 22-26-36/37/39-45-61 | Risk Codes | 21/22-34-43-51/53-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-(Mercaptomethyl)cyclopropaneaceticacid;[1-(Mercaptomethyl)cyclopropyl]acetic acid;2-[1-(mercaptomethyl)cyclopropyl acetic acid; |
Article Data | 10 |
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Synthetic route
- 152922-73-1
2-[1-(mercaptomethyl)cyclopropyl]acetic acid methyl ester
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide at 0 - 20℃; for 3h; | 93% |
| Stage #1: 2-[1-(mercaptomethyl)cyclopropyl]acetic acid methyl ester With methanol; sodium hydroxide; water at 70 - 80℃; for 2h; Stage #2: With hydrogenchloride; water at 40℃; pH=3.0 - ~ 4.0; |
- 1314940-03-8
C6H9ClO2
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: C6H9ClO2 With thiourea In water for 3h; Reflux; Stage #2: With sodium hydroxide In water for 2h; Reflux; | 91.6% |
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide Reflux; | 91.4% |
| Stage #1: 1-(isothiuroniummethyl)cyclopropaneacetonitrile hydrobromide With sodium hydroxide; water for 14h; Heating / reflux; Stage #2: With formic acid In water at -5 - 5℃; pH=3.5 - 4.0; | 76.7% |
- 1015076-74-0
C15H19NO2S
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Stage #1: C15H19NO2S With potassium hydroxide; water at 120℃; for 14h; Stage #2: With hydrogenchloride; water In diethyl ether Product distribution / selectivity; | 80% |
| With water In tetrahydrofuran at 80℃; Product distribution / selectivity; | 50% |
- 152922-72-0
1-(Acetylthiomethyl)cyclopropaneacetonitrile
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hydroxide In toluene | 11.99 g (82%) |
- 855473-50-6
1-bromomethylcyclopropyl acetic acid methyl ester
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: copper(l) iodide / N,N-dimethyl-formamide / 50 - 60 °C 2: potassium carbonate; methanol / 6 h / Reflux 3: phosphorus tribromide / dichloromethane / 0 - 10 °C 4: acetonitrile / Reflux 5: sodium hydroxide / Reflux View Scheme |
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate; methanol / 6 h / Reflux 2: phosphorus tribromide / dichloromethane / 0 - 10 °C 3: acetonitrile / Reflux 4: sodium hydroxide / Reflux View Scheme |
- 152922-71-9
1-(hydroxymethyl)cyclopropaneacetonitrile
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: phosphorus tribromide / dichloromethane / 0 - 10 °C 2: acetonitrile / Reflux 3: sodium hydroxide / Reflux View Scheme |
- 39590-81-3
[1-(hydroxymethyl)cyclopropyl]methanol
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 8 steps 1.1: sulphate-doped anatase / tetrahydrofuran / 45 - 55 °C 2.1: isobutyric acid sodium salt / tetrahydrofuran / 10 - 20 °C / Inert atmosphere 2.2: 0.5 h 3.1: phosphorus tribromide / dichloromethane / 0 - 20 °C 4.1: copper(l) iodide / N,N-dimethyl-formamide / 50 - 60 °C 5.1: potassium carbonate; methanol / 6 h / Reflux 6.1: phosphorus tribromide / dichloromethane / 0 - 10 °C 7.1: acetonitrile / Reflux 8.1: sodium hydroxide / Reflux View Scheme |
- 162515-68-6
1-(sulfanylmethyl)cyclopropaneacetic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1.1: isobutyric acid sodium salt / tetrahydrofuran / 10 - 20 °C / Inert atmosphere 1.2: 0.5 h 2.1: phosphorus tribromide / dichloromethane / 0 - 20 °C 3.1: copper(l) iodide / N,N-dimethyl-formamide / 50 - 60 °C 4.1: potassium carbonate; methanol / 6 h / Reflux 5.1: phosphorus tribromide / dichloromethane / 0 - 10 °C 6.1: acetonitrile / Reflux 7.1: sodium hydroxide / Reflux View Scheme |
2-[1-(Mercaptomethyl)cyclopropyl]acetic acid Specification
The systematic name of Cyclopropaneaceticacid, 1-(mercaptomethyl)- is [1-(sulfanylmethyl)cyclopropyl]acetic acid. With the CAS registry number 162515-68-6, it is also named as [1-(Mercaptomethyl)cyclopropyl]acetic acid; 2-(1-(mercaptomethyl)cyclopropyl)acetic acid. The product's categories are carboxylic acids, organic acids, (intermediate of montelukast), metal isotopes, sulfur & selenium compounds and ring systems. It is off-white solid which is irritative. And it is used as an intermediate of Montelukast.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 37.222 cm3; (13)Molar Volume: 118.981 cm3; (14)Polarizability: 14.756 10-24cm3; (15)Surface Tension: 56.787 dyne/cm; (16)Enthalpy of Vaporization: 58.251 kJ/mol; (17)Vapour Pressure: 0.001 mmHg at 25°C.
People can use the following data to convert to the molecule structure. SMILES: O=C(O)CC1(CS)CC1; InChI: InChI=1/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8); InChIKey: VFAXPOVKNPTBTM-UHFFFAOYAL. Cyclopropaneaceticacid, 1-(mercaptomethyl)- has many suppliers, such as Nantong Chem-land Co., Ltd. and Shanghai Qiao Chemical Science Co., Ltd..
What can I do for you?
Get Best Price
