cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride - CAS 477600-68-3
Catalog: |
BB026390 |
Product Name: |
cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride |
CAS: |
477600-68-3 |
Synonyms: |
(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine;dihydrochloride; (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride |
IUPAC Name: | (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride |
Description: | cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride (CAS# 477600-68-3) is used as a reagent in the preparation of cis-3-Methylamino-4-methylpiperidines and also in synthesis of piperidine derivatives as immunosuppressant for the treatment of diseases associated with pathologic JAK3 activation. |
Molecular Weight: | 291.26 |
Molecular Formula: | C14H24Cl2N2 |
Canonical SMILES: | CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl |
InChI: | InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1 |
InChI Key: | CVQNXCBXFOIHLH-DAIKJZOUSA-N |
LogP: | 4.04920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111848496-A | Preparation method of tofacitinib intermediate amine and double hydrochloride thereof | 20200728 |
CN-111848496-B | Preparation method of tofacitinib intermediate amine and double hydrochloride thereof | 20200728 |
CN-111574522-A | Synthesis method of tofacitinib key intermediate | 20200513 |
CN-110724146-A | Preparation method of tofacitinib citrate | 20191104 |
WO-2021084556-A1 | Process for the preparation of tofacitinib and intermediates thereof | 20191031 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.1316542 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.1316542 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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