3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product Name
- 3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS No.
- 177947-96-5
- Chemical Name
- 3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Synonyms
- TERT-BUTYL 3-FORMYLAZETIDINE-1-CARBOXYLATE;1-Boc-3-azetidinecarboxaldehyde;1-Boc-3-forMylazetidine;N-BOC-3-formylazetidine;3-Formyl 1-BOC-N-Azetidine;1-Boc-azetidine-3-carboxa...;1-Boc-azetidine-3-carboxaldehyde;1-Boc-azetidine-3-carboxaldehyde,97%;1-Boc-azetidine-3-carboxaldehyde, 97%;ert-butyl3-formylazetidine-1-carboxylate
- CBNumber
- CB6733292
- Molecular Formula
- C9H15NO3
- Formula Weight
- 185.22
- MOL File
- 177947-96-5.mol
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property
- Boiling point:
- 257℃
- Density
- 1.188
- refractive index
- 1.4600 to 1.4640
- Flash point:
- 109℃
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- form
- clear liquid
- pka
- -2.70±0.40(Predicted)
- color
- Colorless to Light yellow
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
- InChIKey
- JVQOZRRUGOADSU-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CC(C=O)C1
Safety
- Hazard Codes
- Xi
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- B5160
- Product name
- 1-(tert-Butoxycarbonyl)azetidine-3-carboxaldehyde
- Purity
- >98.0%(GC)
- Packaging
- 200mg
- Price
- $52
- Updated
- 2025/07/31
- Product number
- B5160
- Product name
- 1-(tert-Butoxycarbonyl)azetidine-3-carboxaldehyde
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $157
- Updated
- 2025/07/31
- Product number
- B810095
- Product name
- tert-Butyl3-Formylazetidine-1-carboxylate
- Packaging
- 500mg
- Price
- $155
- Updated
- 2021/12/16
- Product number
- FB141779
- Product name
- 1-Boc-3-azetidinecarboxaldehyde
- Packaging
- 5G
- Price
- $420
- Updated
- 2021/12/16
- Product number
- 121978
- Product name
- tert-Butyl3-formylazetidine-1-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $215
- Updated
- 2021/12/16
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production
Chemical Properties
3-Formylazetidine-1-carboxylic acid tert-butyl ester is a white to pale yellow solid compound with high reactivity and selectivity, which can be used to prepare a variety of compounds with specific functions.
Uses
1-Boc-azetidine-3-carboxaldehyde is used as a starting material in organic synthesis. It is also used as an intermediate in pharmaceuticals.
Synthesis
142253-56-3
177947-96-5
The general procedure for the synthesis of tert-butyl 3-formylazetidine-1-carboxylate from 1-Boc-3-hydroxymethylazetidine was as follows: to a stirred solution of oxalyl chloride (4.28 mL, 49.8 mmol) in dichloromethane (DCM, 5 mL) was added slowly and dropwise to dimethylsulfoxide (DMSO, 0.71 mL, 9.96 mmol) at -78 °C. The reaction mixture was continued to be stirred at this temperature for 15 minutes. Subsequently, tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate (0.69 g, 3.69 mmol) was added and triethylamine (2.1 mL, 14.75 mmol) was added immediately. The reaction system was gradually warmed to room temperature and diluted with DCM (30 mL). The reaction solution was washed with water and the organic phase was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by column chromatography (using an Isolute column, eluent: heptane/ethyl acetate gradient, 0-100%) to give tert-butyl 3-formylazetidine-1-carboxylate (0.19 g, 27% yield).
References
[1] Patent: WO2014/165075, 2014, A1. Location in patent: Page/Page column 45; 46
[2] Patent: US2014/171402, 2014, A1. Location in patent: Paragraph 0053; 0054; 0055; 0056
[3] Patent: EP2754653, 2014, A2. Location in patent: Paragraph 0044; 0045
[4] Patent: WO2018/89355, 2018, A1. Location in patent: Page/Page column 102-104
[5] Patent: WO2010/80357, 2010, A1. Location in patent: Page/Page column 45-46
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers
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- sales-in@tcichemicals.com
- Country
- India
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- Advantage
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View Lastest Price from 3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers
- Product
- 3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 177947-96-5
- Price
- US $10.00-0.80/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-01-12
- Product
- 3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 177947-96-5
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 95%-99%
- Supply Ability
- as request
- Release date
- 2018-12-23