CAS 83435-58-9 N-(tert-Butoxycarbonyl)-D-prolinol (HCID 688279)

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Basic information

CAS: 83435-58-9
Standard SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1CO
InChIKey: BFFLLBPMZCIGRM-MRVPVSSYSA-N
Molecular formula: C10H19NO3
Average molar mass: 201.26 g/mol
Monoisotopic mass: 201.13649347

Names & identifiers

Preferred name: N-(tert-Butoxycarbonyl)-D-prolinol
IUPAC: tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
English name: Boc-D-prolinol
Molecular formula: C10H19NO3
Molecular weight: 201.26

Names & synonyms

N-(tert-Butoxycarbonyl)-D-prolinolRefChem:828684626-169-6BOC-D-PROLINOL83435-58-9N-Boc-D-prolinol(R)-tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylatetert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate1-Boc-D-Prolinol(R)-(+)-1-Boc-2-pyrrolidinemethanolMFCD0004058059378-81-3

Show more names

)-pyrroLBoc-D-Proninolidine-1-carboxyLN-T-BOC-D-PROLINOLN-benzyl-D-prolino

(R)-(+)-1-(tert-Butoxycarbonyl)-2-pyrrolidinemethanoltert-butyl (R)-2-(hydroxymethyl)pyrrolidine-1-carboxylateboc-d-pro-olSMR000857152N-tert-Butoxycarbonyl-D-prolinol(R)-1-BOC-PYRROLIDIN-2-YL-METHANOLN-tert-Butoxycarbonyl-D-prolinol,(R)-Boc-prolinol

Database identifiers

CAS: 83435-58-9
PubChem CID: 688279
DTXSID: DTXSID40350854
ChEMBL: CHEMBL1869411
EC Number: 626-169-6
Nikkaji

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 210

Physicochemical properties

Melting point: 60 · 60-64 °C (lit.)
alpha: 49 · 49 º (589nm, =1.3, CHCl3)
Boiling point: 289.5 · 289.5±13.0 °C(Predicted)
Density: 1.084 · 1.084±0.06 g/cm3(Predicted)
refractive index: 54 ° · 54 ° (C=5, MeOH)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 14.77 · 14.77±0.10(Predicted)
form: Crystalline Powder
color: White to light beige
optical activity: 23 · [α]23/D +50°, c = 1.3 in chloroform
Water Solubility: insoluble
Major Application: peptide synthesis
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: BFFLLBPMZCIGRM-MRVPVSSYSA-N

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29051990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesN-(tert-Butoxycarbonyl)-D-prolinol is used to prepare (azetidinyl)methoxy]pyridines and 2-(aryloxymethyl) azacyclic analogs with therapeutic potetials for the treatment of central nervous system (CNS) disorders.