ChemicalBook > CAS DataBase List > N-Boc-3-pyrrolidinone

N-Boc-3-pyrrolidinone

Product Name
N-Boc-3-pyrrolidinone
CAS No.
101385-93-7
Chemical Name
N-Boc-3-pyrrolidinone
Synonyms
TERT-BUTYL 3-OXOPYRROLIDINE-1-CARBOXYLATE;tert-butyl 2-oxopyrrolidine-1-carboxylate;1-tert-Butoxycarbonyl-3-pyrrolidone;3-OXO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;N-Boc-3-pyrroL;BOC-3-PYRROLIDINONE;1-BOC-3-PYRROLIDONE;N-Boc-3-pyrolidinone;N-BOC-3-Pyrrolodinone;1-BOC-3-PYRROLIDINONE
CBNumber
CB2740029
Molecular Formula
C9H15NO3
Formula Weight
185.22
MOL File
101385-93-7.mol
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N-Boc-3-pyrrolidinone Property

Melting point:
34-38 °C (lit.)
Boiling point:
270.9±33.0 °C(Predicted)
Density 
1.133±0.06 g/cm3(Predicted)
Flash point:
>230 °F
storage temp. 
2-8°C
solubility 
Dichloromethane, Ethyl Acetate, Methanol
pka
-1.79±0.20(Predicted)
form 
Low Melting Solid
color 
White to yellow to orange
Water Solubility 
Insoluble in water.
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKey
JSOMVCDXPUXKIC-UHFFFAOYSA-N
SMILES
N1(C(OC(C)(C)C)=O)CCC(=O)C1
CAS DataBase Reference
101385-93-7(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
22-37/38-41-36/37/38-20/21/22
Safety Statements 
26-36/37/39-36
WGK Germany 
3
Hazard Note 
Irritant
HS Code 
29339900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
637564
Product name
N-Boc-3-pyrrolidinone
Purity
97%
Packaging
1g
Price
$31.24
Updated
2025/07/31
Sigma-Aldrich
Product number
637564
Product name
N-Boc-3-pyrrolidinone
Purity
97%
Packaging
10g
Price
$278.15
Updated
2025/07/31
TCI Chemical
Product number
B3589
Product name
1-tert-Butoxycarbonyl-3-pyrrolidone
Purity
>95.0%(GC)
Packaging
1g
Price
$16
Updated
2025/07/31
TCI Chemical
Product number
B3589
Product name
1-tert-Butoxycarbonyl-3-pyrrolidone
Purity
>95.0%(GC)
Packaging
5g
Price
$34
Updated
2025/07/31
TRC
Product number
B665950
Product name
1-Boc-3-pyrrolidinone
Packaging
10g
Price
$340
Updated
2021/12/16
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N-Boc-3-pyrrolidinone Chemical Properties,Usage,Production

Description

N-Boc-3-pyrrolidinone is an organic compound insoluble in water. It is a starting material for the synthesis of spirocyclic tetrahydrofuran and is also used in studies related to the preparation of 5-membered heterocyclic secondary alcohols with carrot as a biocatalyst[1].

Chemical Properties

Brown Oil

Uses

In the Synthesis and antibacterial evaluation of a novel series of rifabutin-like spirorifamycins 1-Boc-3-pyrrolidinone is used.

Uses

Used in a study of asymmetric hydrogen-transfer bioreduction of ketones with Leifsonia alcohol dehydrogenase.

Synthesis

83220-73-9

101385-93-7

General procedure for the synthesis of 1-tert-butoxycarbonyl-3-hydroxy-pyrrolidine from 1-tert-butoxycarbonyl-3-pyrrolidinone: To a dichloromethane (20 mL) solution of oxalyl chloride (2.8 mL, 32.4 mmol) a dichloromethane (40 mL) solution of dimethylsulfoxide (DMSO, 4.6 mL, 64.8 mmol) was slowly added at -78 °C, and subsequently the reaction mixture was stirred at -15 °C for 5 min. Next, a dichloromethane (60 mL) solution of N-Boc-3-pyrrolidinol (4.04 g, 21.6 mmol) was added at -78°C and stirring was continued for 2 hours at this temperature. Subsequently, triethylamine (15 mL, 108 mmol) was added to the reaction mixture and stirred at -78 °C for 1 hour. After that, the reaction mixture was slowly warmed to room temperature and stirring was continued for 2 hours at room temperature. After completion of the reaction, the mixture was cooled to 0 °C and the reaction was quenched with saturated sodium bicarbonate (NaHCO3) solution and diluted with ethyl acetate. The organic layer was washed sequentially with saturated sodium bicarbonate solution and saturated saline. The organic layers were combined, dried with anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure to afford the crude product 1-tert-butoxycarbonyl-3-pyrrolidinone (4 g, 100% yield), which could be used for subsequent reactions without further purification. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 3.79-3.75 (m, 4H), 2.58 (t, J = 8.0 Hz, 2H), 1.47 (s, 9H).

References

[1] NAIRA VIEIRA MACHADO  á. O. Enantioselective reduction of heterocyclic ketones with low level of asymmetry using carrots[J]. Biocatalysis and Biotransformation, 2021. DOI:10.1080/10242422.2021.1879795.

N-Boc-3-pyrrolidinone Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from N-Boc-3-pyrrolidinone manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD
Product
N-Boc-3-pyrrolidinone 101385-93-7
Price
US $0.00/KG
Min. Order
1KG
Purity
98%min
Supply Ability
30tons/month
Release date
2023-02-22
Henan Aochuang Chemical Co.,Ltd.
Product
N-Boc-3-pyrrolidinone 101385-93-7
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2022-09-23
Nanjing Fred Technology Co., Ltd
Product
N-Boc-3-pyrrolidinone 101385-93-7
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1 ton
Release date
2024-01-02

101385-93-7, N-Boc-3-pyrrolidinoneRelated Search:


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