tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate

HCID 11736104CAS 577691-56-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIKey
ZQRYPCAUVKVMLZ-JGVFFNPUSA-N
Molecular formula
C10H19FN2O2
Average molar mass
218.27 g/mol
Monoisotopic mass
218.14305602

Names & identifiers

Preferred name
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
IUPAC
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
English name
tert-butyl (3S,4R)-4-aMino-3-fluoropiperidine-1-carboxylate
Molecular formula
C10H19FN2O2
Molecular weight
218.27

Names & synonyms

907544-20-1TERT-BUTYL (3S,4R)-4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE577691-56-6tert-Butyl 3,4-cis-4-amino-3-fluoropiperidine-1-carboxylate racemateRefChem:891871824-643-9867-375-8(3S,4R)-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylateMFCD17976872cis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylatetert-butyl cis-4-amino-3-fluoropiperidine-1-carboxylateCIS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE
Show more names
Cis-(3S,4R)-1-Boc-4-amino-3-fluoropiperidinetert-Butyl (3S,4R)-4-Amino-3-fluoropiperidine-1-carboxylicCis (3s, 4r)-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3S,4R)-
(3S,4R)-1-Boc-3-fluoropiperidin-4-amine(3S,4R)-TERT-BUTYL 4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE RACEMATEcis-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate(3S,4R)-t-Butyl 4-amino-3-fluoropiperidine-1-carboxylate(3S, 4R)-4-Amino-1-tert-butoxycarbonyl-3-fluoropiperidineTert-butyl (3S,4R)-4-amino-3-fluoro-piperidine-1-carboxylateSCHEMBL729549SCHEMBL30760963

Database identifiers

CAS
577691-56-6、907544-20-1
PubChem CID
11736104
EC Number
824-643-9、867-375-8

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
285.6 · 285.6±40.0 °C(Predicted)
Density
1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
8.88 · 8.88±0.40(Predicted)
Appearance
Colorless to off-white Solid-Liquid Mixture
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and Categories · 2 items

Skin Corr. 1B (100%)

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H312
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501

Chemistry & industry

Applications · 1 item

Uses(3S,4R)-4-Amino-3-fluoropiperidine-1-carboxylic Acid tert-Butyl Ester is the derivative of Quinine (Q694000) which is the primary alkaloid of various species of Cinchona (Rubiaceae). Optical isomer of Quinidine. Antimalarial; muscle relaxant (skeletal).

Upstream & downstream products

Suppliers50 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate (HCID 11736104)｜Huagongshe