1,3-Adamantanedicarboxylic acid
- CAS No.
- 39269-10-8
- Chemical Name:
- 1,3-Adamantanedicarboxylic acid
- Synonyms
- ADAMANTANE-1,3-DICARBOXYLIC ACID;1,3-DICARBOXYADAMANTANE;(1s,3s,5r,7r)-AdaMantane-1,3-dicarboxylic acid;AKOS BC-0656;adamantane-1,3-dicarboxylate;1,3-ADAMANTANEDICARBOXYLIC ACID;1,3-Adamantanedicarboxylic Acid,97%;1,3-Adamantanedicarboxylic Acid >1,3-Adamantanedicarboxylic acid 98%;Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid
- CBNumber:
- CB5316047
- Molecular Formula:
- C12H16O4
- Molecular Weight:
- 224.25
- MDL Number:
- MFCD00167790
- MOL File:
- 39269-10-8.mol
- MSDS File:
- SDS
| Melting point | 276-278 °C (lit.) |
|---|---|
| Boiling point | 380.6±15.0 °C(Predicted) |
| Density | 1.461±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 4.24±0.40(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16) |
| InChIKey | PAVQGHWQOQZQEH-UHFFFAOYSA-N |
| SMILES | C12(C(O)=O)CC3CC(CC(C(O)=O)(C3)C1)C2 |
| CAS DataBase Reference | 39269-10-8(CAS DataBase Reference) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36/37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | YD1994000 | |||||||||
| HS Code | 29172090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704 |
|
1,3-Adamantanedicarboxylic acid price More Price(44)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 340820 | 1,3-Adamantanedicarboxylic acid 98% | 39269-10-8 | 1G | $120 | 2023-01-07 | Buy |
| TCI Chemical | A1358 | 1,3-Adamantanedicarboxylic Acid >97.0%(GC)(T) | 39269-10-8 | 5g | $163 | 2026-04-30 | Buy |
| TCI Chemical | A1358 | 1,3-Adamantanedicarboxylic Acid >97.0%(GC)(T) | 39269-10-8 | 25g | $548 | 2026-04-30 | Buy |
| Apolloscientific | OR350008 | 1,3-Adamantanedicarboxylic acid >96% | 39269-10-8 | 5g | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR350008 | 1,3-Adamantanedicarboxylic acid >96% | 39269-10-8 | 25g | $52 | 2026-06-04 | Buy |
1,3-Adamantanedicarboxylic acid Chemical Properties, Uses, Production
Uses
1,3-Adamantanedicarboxylic acid is a carboxylic acid derivative of adamantane. It is widely used in drug industry, polymer synthesis and fine chemicals as key intermediates. It is also used as antidepressants or antiparkinsonic drugs in clinical practice.
Preparation
1,3-Adamantanedicarboxylic acid was synthesized from 1-adamantane carboxylic acid by one-pot method. In this process, the ratio of mixed acid (nitric acid and sulfuric acid) have important effect on the yield, the role of sulfuric acid not only is solvent, but also can improve the oxidate ability of nitric acid.
Efficient Synthesis of 1,3-Adamantanedicarboxylic Acid and 1,3-Diaminoadamantane
Reaction: 1-Adamantane carboxylic acid (20 g), nitric acid (65 %, 20 mL) and sulfuric acid (98 %, 160 mL) were placed in a three-necked roundbottom flask fitted with an efficient magnetic stirrer and a thermometer. Cooled to 0 oC and held at 0 oC, anhydrous formic acid (80 %, 70 mL) was added dropwise in 5 h and reacted for 1 h. poured to crushed ice, filtered and then washed the precipitate several times with water to give a white solid. Then the white solid was dissolved in aqueous NaOH solution and the upper clear solution was separated and acidified by HCl to pH = 3. Filtered, washed with water, dried in vacuum, recrystallized from ethanol. White solid, yield 22.9 g (92 %). m.p.: 275- 276 oC
1H NMR (DMSO-d6, 400 MHz) δ: 1.616 (m, 2H), 1.691-1.727 (m, 4H), 1.759-1.791 (m, 4H), 1.850-1.882 (m, 2H), 2.059 (m, 1H), 12.062 (br, s, 2H, COOH); 13C NMR (100 MHz, DMSO-d6) δ 27.37 (C-5, C-7), 34.98 (C-6), 37.66 (C-4, C-8, C-9, C-10), 39.78 (C-2), 39.89 (C-2, C-3), 177.76 (COOH). IR (KBr, νmax, cm-1) : 2913, 2851, 2636, 1691, 1451, 1410, 1344, 1249, 1103, 1084, 952, 743, 670, 528; Anal. calcd for C12H16O4: C 64.29, H 7.14; found C 64.55, H 7.22.
Purification Methods
Dissolve the acid in aqueous NaOH, treat with charcoal, filter and acidify with dilute HCl. It crystallises from MeOH. [Stetter & Wulff Chem Ber 93 1366 1960, Beilstein 9 III 4066, 9 IV 2997.]
1,3-Adamantanedicarboxylic acid Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| ShangHai DEMO Chemical Co.,Ltd | 400-021-7337 2355568890 | sales@demochem.com | China | 2569 | 57 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
View Latest Price from 1,3-Adamantanedicarboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-04-10 | 1,3-Adamantanedicarboxylic acid
39269-10-8
|
$2.00-5.00 | 1KG | 99% hplc | 500TONS | Wuhan JiyunZen Tech Co., Ltd. | |
 |
2025-06-04 | 1,3-Adamantanedicarboxylic acid
39269-10-8
|
1KG | 97%+ | 10000kgs per Month | Shanghai Qyubiotech Co., Ltd. | ||
 |
2025-04-04 | 1,3-Adamantanedicarboxylic acid
39269-10-8
|
1KG | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd. |
-
- 1,3-Adamantanedicarboxylic acid
39269-10-8
- $2.00-5.00
- 99% hplc
- Wuhan JiyunZen Tech Co., Ltd.
-
- 1,3-Adamantanedicarboxylic acid
39269-10-8
- 97%+
- Shanghai Qyubiotech Co., Ltd.
-
- 1,3-Adamantanedicarboxylic acid
39269-10-8
- 98%
- Henan Aochuang Chemical Co.,Ltd.
