Cas no 1228581-13-2 (Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate)
Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate is a versatile azetidine derivative used as a key intermediate in organic synthesis and pharmaceutical research. Its structure features a cyano group and a hydroxymethyl substituent on the azetidine ring, along with a Boc-protected nitrogen, enabling selective functionalization. The compound is particularly valuable in the development of bioactive molecules due to its rigid azetidine scaffold, which enhances conformational control in drug design. The Boc group facilitates easy deprotection under mild conditions, while the cyano and hydroxymethyl groups offer additional reactivity for further derivatization. This makes it a useful building block for medicinal chemistry and peptidomimetic applications.
1228581-13-2 structure
Product Name:Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
CAS No:1228581-13-2
MF:C10H16N2O3
MW:212.245642662048
MDL:MFCD24856922
CID:3036473
PubChem ID:58438953
Update Time:2025-05-28
Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
- PBBOGMQFWAYUKJ-UHFFFAOYSA-N
- FCH2346481
- SB15613
- AK173679
- 1-Boc-3-cyano-3-(hydroxymethyl)azetidine
- 1-Azetidinecarboxylic acid, 3-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
- DTXSID601166603
- MFCD24856922
- AKOS023600290
- AS-51970
- CS-0048308
- 1228581-13-2
- tert-butyl3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
- P14026
- EN300-111830
- 1,1-Dimethylethyl 3-cyano-3-(hydroxymethyl)-1-azetidinecarboxylate
- SCHEMBL2328812
- DTXCID101598039
- 861-705-4
- DZB58113
- Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
-
- MDL： MFCD24856922
- Inchi： 1S/C10H16N2O3/c1-9(2,3)15-8(14)12-5-10(4-11,6-12)7-13/h13H,5-7H2,1-3H3
- InChI Key： PBBOGMQFWAYUKJ-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CC(C#N)(CO)C1)=O
Computed Properties
- Exact Mass: 212.11609238g/mol
- Monoisotopic Mass: 212.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 304
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 73.6
- XLogP3: -0.3
Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM284031-1g |
tert-Butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 95% | 1g |
$558 | 2021-06-09 | |
| Alichem | A449041130-1g |
tert-Butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 95% | 1g |
$632.82 | 2023-09-03 | |
| TRC | B811450-10mg |
tert-Butyl 3-Cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B811450-50mg |
tert-Butyl 3-Cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 50mg |
$ 135.00 | 2022-06-06 | ||
| TRC | B811450-100mg |
tert-Butyl 3-Cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 100mg |
$ 230.00 | 2022-06-06 | ||
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FD00656-5g |
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 95% | 5g |
$1320 | 2023-09-07 | |
| Ambeed | A879601-25g |
tert-Butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 97% | 25g |
$4029.0 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLJ2860-100mg |
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 97% | 100mg |
￥785.0 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLJ2860-250mg |
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 97% | 250mg |
￥1049.0 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBLJ2860-500mg |
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate |
1228581-13-2 | 97% | 500mg |
￥1749.0 | 2024-04-25 |
Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
1228581-13-2 (Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate) Related Products
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