(3R,4R)-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride - CAS 1062580-52-2
Catalog:
BB001840
Product Name:
(3R,4R)-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
CAS:
1062580-52-2
Synonyms:
(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine;dihydrochloride; (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
Ordering Information
Catalog
Size
Price
Stock
Quantity
BB001840
100 g
$628
In stock
0
1
2
3
4
5
6
7
8
9
Related CAS: 477600-70-7
IUPAC Name: (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
Description: (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride is an impurity of Tofacitinib, a medication used to treat rheumatoid arthritis, psoriatic arthritis and ulcerative colitis.
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
Melting Point: >252 ℃ (dec.)
Appearance: White to off-white solid
Storage: Inert atmosphere, 2-8 ℃
MDL: MFCD11044501
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
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Piperidines
Customers Also Viewed
[5518-18-3]
N-[2-(hexadecanoylamino)ethyl]hexadecanamide
[44994-28-7]
N,N,N',N'-Tetramethyl-1,5-pentanediamine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[16208-48-3]
Ethanesulfonic acid, 2,2'-trithiodi-, disodium salt
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
[1263166-91-1]
endo-BCN-PNP-carbonate
INDUSTRY LEADERS TRUST OUR PRODUCTS