(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine - CAS 608141-42-0
Catalog: |
BB030820 |
Product Name: |
(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine |
CAS: |
608141-42-0 |
Synonyms: |
(αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]benzenemethanamine; 3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-(αS)-benzenemethanamine; (1S)-1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine |
IUPAC Name: | (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine |
Description: | It is an intermediate of Apremilast. |
Molecular Weight: | 273.35 |
Molecular Formula: | C12H19NO4S |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC |
InChI: | InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3/t10-/m1/s1 |
InChI Key: | BXUJVINGXQGNFD-SNVBAGLBSA-N |
Boiling Point: | 469.6±45.0°C (Predicted) |
Melting Point: | 106-108°C |
Purity: | ≥97% |
Density: | 1.195±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
MDL: | MFCD22677268 |
LogP: | 2.91940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112250533-A | Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine | 20201022 |
CN-113121404-A | Synthetic method of Apremilast | 20191230 |
US-11008288-B1 | Methods for preparation of apremilast | 20191230 |
WO-2021119571-A1 | Pde4 inhibitors, pharmaceutical compositions, and therapeutic applications | 20191212 |
WO-2021000934-A1 | Crystal form of benzimidazole-2-one compound, solvate thereof, crystal form of solvate thereof, and preparation method therefor | 20190704 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.10347926 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.10347926 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 87 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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