3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)- (HCID 178792)

Names & identifiers

Preferred name: 3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-
IUPAC: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
English name: tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate
Molecular formula: C11H19NO4
Molecular weight: 229.27

Names & synonyms

95715-87-0(R)-Garner Aldehyde(R)-Garner's aldehydeGarner's aldehyde R-form [MI]UPK623LV603-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-3-Oxazolidinecarboxylic acid, 4-forMyl-2,2-diMethyl-, 1,1-diMethylethyl ester, (4R)-(+)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl esterRefChem:498081GARNER'S ALDEHYDE R-FORM

Show more names

tert-butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate(R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidinetert-Butyl (4R)-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylatetert-Butyl (R)R-Garner'saldehyde(S)-Garner's Aldehyde(+)-n-boc-n,o-isopropylidene-d-serinal(R)-2,2-diMethyloxazolidine-4-carbaldehyde

(R)-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylatetert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD00674064tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydeUNII-UPK623LV60(R)-4-Formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester(4R)-3-tert-Butoxycarbonyl-2,2-dimethyl-4-formyloxazolidine

Database identifiers

CAS: 95715-87-0
PubChem CID: 178792
DTXSID: DTXSID70914847
UNII: UPK623LV60
EC Number: 627-510-1
Nikkaji: J329.940F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 293

Physicochemical properties

Boiling point: 67 °C/0.3 · 67 °C/0.3 mmHg(lit.)
alpha: 27 · D27 +103° (c = 1.0 in CHCl3)
Density: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
refractive index: 1.445 · 1.445-1.447
Flash point: 107 °C · 107 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform, Dichloromethane, Ethyl Acetate
pka: -3.26 · -3.26±0.60(Predicted)
form: Oil
color: Colorless to pale yellow
optical activity: 23 · [α]23/D +90°, c = 1 in chloroform
Sensitive: Air Sensitive
BRN: 3651554 · 3651554
InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
SMILES: O1C[C@H](C=O)N(C(OC(C)(C)C)=O)C1(C)C
FDA UNII: 623 LV60 · UPK623LV60
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-36-60-37-23
WGK Germany: 3 · 3
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.