16-(Tert-butoxy)-16-oxohexadecanoic acid
- CAS No.
- 843666-27-3
- Chemical Name:
- 16-(Tert-butoxy)-16-oxohexadecanoic acid
- Synonyms
- hexadecanedioic acid mono-tert-butyl ester;Boc-C14-COOH;Mono-tert-butyl hexadecanedioate;tert-Butyl Hydrogen Hexadecanedioate;16-(tert-Butoxy)-16-oxopalmitic acid;Hexadecanedioic acid tert-butyl ester;1tert-Butyl Hydrogen Hexadecanedioate;Hexadecanedioic acid mono-t-butyl ester;16-(tert-Butoxy)-16-oxohexadecanoic acid;tert-Butyl Hydrogen Hexadecanedioate >
- CBNumber:
- CB52696396
- Molecular Formula:
- C20H38O4
- Molecular Weight:
- 342.51
- MDL Number:
- MFCD23136039
- MOL File:
- 843666-27-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| tert-Butyl Hydrogen Hexadecanedioate >95.0%(GC)(T) | B4911 | 100mg | $81 |
| tert-Butyl Hydrogen Hexadecanedioate >95.0%(GC)(T) | B4911 | 1g | $489 |
| Boc-C14-COOH ≥97% | CS-0085848 | 1g | $13 |
| Boc-C14-COOH ≥97% | CS-0085848 | 5g | $32 |
| Boc-C14-COOH ≥97% | CS-0085848 | 10g | $60 |
| Melting point | 60 °C |
|---|---|
| Boiling point | 444.6±18.0 °C(Predicted) |
| Density | 0.959±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.78±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| InChI | InChI=1S/C20H38O4/c1-20(2,3)24-19(23)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(21)22/h4-17H2,1-3H3,(H,21,22) |
| InChIKey | HXJICNOLPKEOLU-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)CCCCCCCCCCCCCCC(O)=O |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P271 |
| HS Code | 2917198090 |
16-(Tert-butoxy)-16-oxohexadecanoic acid price More Price(61)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | B4911 | tert-Butyl Hydrogen Hexadecanedioate >95.0%(GC)(T) | 843666-27-3 | 100mg | $81 | 2026-04-30 | Buy |
| TCI Chemical | B4911 | tert-Butyl Hydrogen Hexadecanedioate >95.0%(GC)(T) | 843666-27-3 | 1g | $489 | 2026-04-30 | Buy |
| ChemScene | CS-0085848 | Boc-C14-COOH ≥97% | 843666-27-3 | 1g | $13 | 2026-06-04 | Buy |
| ChemScene | CS-0085848 | Boc-C14-COOH ≥97% | 843666-27-3 | 5g | $32 | 2026-06-04 | Buy |
| ChemScene | CS-0085848 | Boc-C14-COOH ≥97% | 843666-27-3 | 10g | $60 | 2026-06-04 | Buy |
16-(Tert-butoxy)-16-oxohexadecanoic acid Chemical Properties,Uses,Production
Chemical Properties
White to Almost white powder to crystal, Melting Point: 60 °C.
Uses
16-(Tert-butoxy)-16-oxohexadecanoic acid (Boc-C14-COOH) is a non-cleavable ADC linker used in the synthesis of antibody-drug couplings (ADCs). It is also a PROTAC linker based on alkyl chains and can be used in the synthesis of PROTAC.
Synthesis
505-54-4
36805-97-7
843666-27-3
General procedure for the synthesis of mono-tert-butyl hexadecanedioate from hexadecanedioic acid and N,N-dimethylformamide di-tert-butyl acetal: Hexadecanedioic acid (4.5 g, 15.71 mmol) was suspended in toluene (28.1 mL) and heated to reflux. 1,1-di-tert-butoxy-N,N-dimethylmethylamine (10.10 mL, 42.1 mmol) was added slowly and dropwise over 30 minutes. The reaction mixture was refluxed overnight. Subsequently, the solvent was removed by distillation under reduced pressure at 50 °C, and the crude product obtained was suspended in a CH2Cl2/EtOAc solvent mixture (75 mL, 1:1 v/v) and stirred for 15 min. The insoluble material was removed by filtration and the filter cake was washed with CH2Cl2 (25 mL). The filtrates were combined and concentrated under reduced pressure. The resulting material was dissolved in CH2Cl2 (6 mL), cooled in an ice bath for 10 min and filtered. The solvent was removed again under reduced pressure to give the crude product, which was purified by fast column chromatography (silica gel, EtOAc/hexane as eluent) to give the final 16-(tert-butoxy)-16-oxohexadecanoic acid (2.56 g, 7.47 mmol, 47.6% yield). Analytical conditions D: retention time = 5.04 min; ESI-MS (+) m/z 269.3 [M-OC(CH3)3]; 1H NMR (500 MHz, methanol-d4) δ 2.33-2.18 (m, 4H), 1.66-1.54 (m, 4H), 1.50-1.43 (m, 9H), 1.40-1.25 (m. 20H).
IC 50
Non-cleavable Linker
References
[1] Patent: WO2016/77518, 2016, A1. Location in patent: Page/Page column 477; 478
[2] Patent: WO2007/128817, 2007, A2. Location in patent: Page/Page column 81
[3] Patent: EP2448962, 2016, B1. Location in patent: Paragraph 0051
[4] Patent: CN105001140, 2018, B. Location in patent: Paragraph 0177-0179
[5] Patent: US2010/22446, 2010, A1
16-(Tert-butoxy)-16-oxohexadecanoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
16-(Tert-butoxy)-16-oxohexadecanoic acid Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29626 | 60 |
| Chengdu Pukang Biotechnology Co., Ltd | 028-82550498 | export@pu-kang.com | CHINA | 210 | 58 |
| BOC Sciences | +1-631-485-4226 | inquiry@bocsci.com | United States | 19935 | 58 |
| career henan chemical co | +86-0371-86658258 | factory@coreychem.com | China | 29780 | 58 |
| SHANGHAI T&W PHARMACEUTICAL CO., LTD. | +86-021-61551413 | contact@trustwe.com | China | 5742 | 58 |
| Win-Win chemical CO., Limited | +86-0086-577-64498589 +86-15355981851 | sales@win-winchemical.com | China | 14301 | 58 |
| GL Biochem (Shanghai) Ltd. | +86-021-61263370 +86-18901917034 | CHINA | 3904 | 58 | |
| ANHUI WITOP BIOTECH CO., LTD | +8618071025641 | eric@witopchemical.com | China | 23506 | 58 |
| Unipharm pharmaceutical industry Co., Ltd | 536-8266195 +8613953676784 | lee@unipharm-sd.com | China | 1200 | 58 |
| Shaanxi Dideu Medichem Co. Ltd | +86-29-81139210 +86-17392587031 | 1059@dideu.com | China | 9984 | 58 |
View Lastest Price from 16-(Tert-butoxy)-16-oxohexadecanoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-30 | 16-(tert-butoxy)-16-oxohexadecanoic acid
843666-27-3
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2023-06-26 | tert-Butyl hydrogen hexadecanedioate
843666-27-3
|
$150.00 | 10g | more than 99.6% | 500kg/month | Hebei Mingeng Biotechnology Co., Ltd | |
 |
2020-01-13 | 16-(tert-Butoxy)-16-oxopalmitic acid, tert-Butyl 15-carboxypentadecanoate
843666-27-3
|
$6.68 | 1KG | 97%-99% | 1kg-1000kg | Career Henan Chemical Co |
-
- 16-(tert-butoxy)-16-oxohexadecanoic acid
843666-27-3
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- tert-Butyl hydrogen hexadecanedioate
843666-27-3
- $150.00
- more than 99.6%
- Hebei Mingeng Biotechnology Co., Ltd
-
- 16-(tert-Butoxy)-16-oxopalmitic acid, tert-Butyl 15-carboxypentadecanoate
843666-27-3
- $6.68
- 97%-99%
- Career Henan Chemical Co
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