Octadecanedioic acid mono-tert-butyl ester
- CAS No.
- 843666-40-0
- Chemical Name:
- Octadecanedioic acid mono-tert-butyl ester
- Synonyms
- 18-(tert-Butoxy)-18-oxooctadecanoic acid;Octadecanedioic acid mono(1,1-dimethylethyl) ester;Octadecanedioic acid 1-tert-butyl ester;Octadecanedioic acid mono-t-butyl ester;18-(tert-Butoxy)-18-oxostearic acid, tert-Butyl 17-carboxyheptadecanoate;Boc-C16-COOH;18-(tert-Butoxy);ButOOC-C16-COOH ;mono-t-Butyl stearate;(tBu)-Octadecanedioate
- CBNumber:
- CB81519446
- Molecular Formula:
- C22H42O4
- Molecular Weight:
- 370.57
- MOL File:
- 843666-40-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/3/27 6:45:46
| Melting point | 68 °C |
|---|---|
| Boiling point | 470.7±18.0 °C(Predicted) |
| Density | 0.950±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 4.78±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C22H42O4/c1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24/h4-19H2,1-3H3,(H,23,24) |
| InChIKey | WDUQJXKBWRNMKI-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)CCCCCCCCCCCCCCCCC(O)=O |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319 | |||||||||
| Precautionary statements | P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405 | |||||||||
| HS Code | 2917198090 | |||||||||
| NFPA 704 |
|
Octadecanedioic acid mono-tert-butyl ester price More Price(2)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemicals (India) | B5928 | 18-(tert-Butoxy)-18-oxooctadecanoic Acid min. 95.0 % | 843666-40-0 | 250MG | ₹6900 | 2022-05-26 | Buy |
| TCI Chemicals (India) | B5928 | 18-(tert-Butoxy)-18-oxooctadecanoic Acid min. 95.0 % | 843666-40-0 | 1G | ₹22500 | 2022-05-26 | Buy |
Octadecanedioic acid mono-tert-butyl ester Chemical Properties,Uses,Production
Description
Octadecanedioic acid mono-tert-butyl ester is a non-cleavable ADC linker or alkyl chain-based PROTAC linker for the synthesis of antibody-drug couplings (ADCs) and PROTACs.
Uses
18-(tert-Butoxy)-18-oxooctadecanoic Acid is a synthetic intermediate used in the preparation of semaglutide. It can be produced by the catalysis of 18-hydroxyoctadecanoic acid by ethyl bromoacetate in the presence of formamide and magnetic trifluoroacetic acid.
Application
18-(tert-Butoxy)-18-oxooctadecanoic acid) is a short linker featuring a carboxylic acid and a tert-butyl ester. Carboxylic acids can be reacted with alcohols or amines, while the tert-butyl ester can be deprotected and further connected to another molecule. It is a pharmaceutical intermediate ingredient used in the preparation of somatostatin. It also has catalytic activity.
Synthesis
A suspension of octadecanedioic Acid (15 g, 47.7 mmol) in Toluene (191 ml) was brought to reflux in 3 neck 1 L round bottom flask. When all the Acid was in solution, 1,1 -di-tert-butoxy-N, N-dimethylmethanamine (22.87 ml, 95 mmol) was added dropwise over 30 minutes. The reaction mixture was heated under reflux overnight. The reaction was stopped after 20 total hours of heating. The reaction mixture was cooled to room temperature, resulting in solid precipitation. The mixture was filtered by vacuum filtration. The resulting white solid was suspended in 200 ml dichloromethane and stirred for 15 minutes. The remaining solids were removed via vacuum filtration. The collected solids were again suspended in dichloromethane and stirred for 15 minutes. After a second filtration, the combined filtrates were concentrated in vacuo, and the resulting white powder 18-(tert-Butoxy)-18-oxooctadecanoic Acid was dried undervacuum.
Octadecanedioic acid mono-tert-butyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| NSJ Prayog Life Sciences Private Limited | +91-6281747900 +91-6281747900 | Hyderabad, India | 76 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6768 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
| SyncoZymes (Shanghai) Co., Ltd., | +8613681683526 | China | 188 | 58 | Inquiry |
| XIAMEN SINOPEG BIOTECH CO., LTD. | +86-0592-7761068 +8617350879715 | China | 176 | 58 | Inquiry |
| Suzhou Nordica Biopharma CO.,LTD | +86-18136148818 +86-18567353071 | China | 299 | 58 | Inquiry |
| BJV BIOTECH LTD | +86-0755-23089946 +8619006605307 | China | 67 | 58 | Inquiry |
| Wuhan senwayer century chemical Co.,Ltd | +undefined-27-86652399 +undefined13627115097 | China | 923 | 58 | Inquiry |
| Hebei Zhuanglai Chemical Trading Co.,Ltd | +8613343047651 | China | 3692 | 58 | Inquiry |
| HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD | +8615350851019 | China | 1001 | 58 | Inquiry |
843666-40-0(Octadecanedioic acid mono-tert-butyl ester)Related Search:
1of4
chevron_right