Related Searches: 1-Boc-3-azetidinone, 1-Boc-3-piperidone, (S)-(-)-1-Boc-3-aminopyrrolidine, (S)-(+)-1-Boc-3-hydroxypyrrolidine, (R)-(+)-1-Boc-3-aminopyrrolidine, View all

1-Boc-3-azetidinone(CAS No. 398489-26-4)

1-Boc-3-azetidinone C8H13NO3 (cas 398489-26-4) Molecular Structure

398489-26-4 Structure

Identification and Related Records

【Name】
1-Boc-3-azetidinone
【Iupac name】
tert-butyl 3-oxoazetidine-1-carboxylate
【CAS Registry number】
398489-26-4
【Synonyms】
1-Azetidinecarboxylicacid, 3-oxo-, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)-3-oxoazetidine
1-tert-Butoxycarbonyl-3-azetidinone
3-Oxoazetidine-1-carboxylic acid tert-butyl ester
tert-Butyl3-oxoazetidine-1-carboxylate
【Molecular Formula】
C8H13NO3 (Products with the same molecular formula)
【Molecular Weight】
171.19
【Inchi】
InChI=1/C6H14N2.2ClH/c1-8-4-2-3-6(7)5-8;;/h6H,2-5,7H2,1H3;2*1H
【Canonical SMILES】
CC(C)(C)OC(=O)N1CC(=O)C1
【MOL File】
398489-26-4.mol

Chemical and Physical Properties

【Density】
1.174g/cm3
【Melting Point】
49-52°C
【Boiling Point】
251.3 °C at 760 mmHg
【Flash Point】
102 °C
【Storage temp】
Store under inert gas
【Computed Properties】
Molecular Weight:171.19372 [g/mol]
Molecular Formula:C8H13NO3
XLogP3-AA:0.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:171.089543
MonoIsotopic Mass:171.089543
Topological Polar Surface Area:46.6
Heavy Atom Count:12
Formal Charge:0
Complexity:209
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3.6
Conformer Sampling RMSD:0.6
CID Conformer Count:5

Safety and Handling

【Hazard Codes】
Xi,Xn:;
【Risk Statements】
R22
【Safety Statements 】
26-39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi,HarmfulXn
Risk Statements: 22-37/38-41?
R22:Harmful if swallowed.?
R37/38:Irritating to respiratory system and skin.?
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S39:Wear eye / face protection.
Hazard Note: Irritant
HazardClass:?Irritant

【Sensitive】
Moisture Sensitive/Stench
【Specification】

?1-Boc-3-azetidinone? , its cas register number is 398489-26-4. It also can be called 3-oxo-azetidine-1-carboxylic acid tert-butyl ester ; 3-oxoazetidine, n-boc protected ; tert-butyl 3-oxoazetidine-1-carboxylate ; 1-boc-azetidin-3-one ; 1-tert-butoxycarbonyl-3-azetidinone ; 1-n-boc-3-azetidinone ; 3-oxoazetidine, n-boc protected 95% and so on.

Supplier Location

Top Suppliers

Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
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Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Business Type:Manufacturer
Telephone:86-571-85829152
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Telephone:86-25-83697070
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Hui Chem Company Limited
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Telephone:86-21-60542966
Wuhan Haizheng Industry & Trade Development Co. Ltd
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Telephone:86-27-88660577
Struchem Co Ltd
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Business Type:Manufacturer
Telephone:86-512-63009836

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