(R)-1-Boc-2-azetidinemethanol

HCID 11074142

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 161511-90-6
Standard SMILES: CC(C)(C)OC(=O)N1CC[C@@H]1CO
InChIKey: XIRUXUKRGUFEKC-SSDOTTSWSA-N
Molecular formula: C9H17NO3
Average molar mass: 187.24 g/mol
Monoisotopic mass: 187.1208434

Names & identifiers

Preferred name: (R)-1-Boc-2-azetidinemethanol
IUPAC: tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
English name: (R)-1-(TERT-BUTOXYCARBONYL)-2-AZETIDINEMETHANOL
Molecular formula: C9H17NO3
Molecular weight: 187.24

Names & synonyms

(R)-1-Boc-2-azetidinemethanol161511-90-6DTXSID20454228RefChem:210848DTXCID10405047(R)-1-(tert-Butoxycarbonyl)-2-azetidinemethanolTert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylateMFCD037909371-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)-(R)-1-t-butoxycarbonyl-2-azetidinemethanol(R)-1-t-butyloxycarbonyl-2-azetidinemethanol1-t-butoxycarbonyl-2-(R)-hydroxymethyiazetidine

Show more names

(R)-1-Boc-2-azetidinemeth...(R)-1-BOC-2-azetidinemethanol - [B1554](R)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol >tert-butyl(R)-2-(hydroxymethyl)azetidine-1-carboxylate

(R)-tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylateAM20080443(R)-2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL283443tert-butyl (R)-2-(hydroxymethyl)azetidine-1-carboxylate1-BOC-2-(R)-azetidinemethanolAKOS015841262AKOS015901313

Database identifiers

CAS: 161511-90-6
PubChem CID: 11074142
DTXSID: DTXSID20454228
EC Number: 987-305-0
Nikkaji: J995.455D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 198

Physicochemical properties

Boiling point: 270.3 · 270.3±13.0 °C(Predicted)
Density: 1.115 · 1.115±0.06 g/cm3(Predicted)
refractive index: 1.458 · 1.4580-1.4620
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 14.77 · 14.77±0.10(Predicted)
color: Colorless to Almost colorless
CAS DataBase Reference: 161511 · 161511-90-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses(2R)-1-Boc-2-(hydroxymethyl)azetidine was used to study analgesic structure activity relationship of (azetidinylmethoxy)chloropyridine derivatives. It is used for efficient asymmetric synthesis of oral analgesic.