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Basic information
- CAS
156699-39-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C- InChIKey
MLXHSDCSBUGOLZ-JTQLQIEISA-N- Molecular formula
- C15H26N2O6
- Average molar mass
- 330.381 g/mol
- Monoisotopic mass
- 330.17908655
Names & identifiers
- Preferred name
- PYR412
- IUPAC
- (3S)-1,2-Bis(tert-butoxycarbonyl)-1,2-diazinane-3-carboxylic acid
- English name
- (S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester
- Molecular formula
- C15H26N2O6
- Molecular weight
- 330.38
Names & synonyms
(S)-1,2-bis(tert-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid(3S)-1,2-bis(tert-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid1,2,3-PYRIDAZINETRICARBOXYLIC ACID(3S)-1,2-bis(Boc)-1,2-diazinane-3-carboxylic acid(S)-N1,N2-Diboc-hexahydropyridazine-3-carboxylic acid(S)-1,2-Bis(Boc)-hexahydropyridazine-3-carboxylic AcidN1,N2-Di-Boc-(S)-hexahydropyridazine-3-carboxylic acid(3S)-1,2-bis(tert-butoxycarbonyl)-1,2-diazinane-3-carboxylic acid1,2-Bis(tert-butyl) (3S)-tetrahydro-1,2,3-pyridazinetricarboxylate(3S)-N,N'-bis-(t-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid
Database identifiers
- CAS
156699-39-7- PubChem CID
- 10871237
- DTXSID
DTXSID70446618- Nikkaji
- J1.117.402G
Properties
Physicochemical properties
- Boiling point
- 422 · 422.0±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.20(Predicted)
- InChI
- InChI=1/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/s3
- InChIKey
- MLXHSDCSBUGOLZ-JQHDBZEONA-N
- SMILES
- [C@H]1(C(O)=O)N(C(OC(C)(C)C)=O)N(C(OC(C)(C)C)=O)CCC1 |&1:0,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Applications
Uses(S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester is a pharmaceutical intermediate heterocyclic compound that can be used in the synthesis of RAS inhibitors.
Suppliers88 total
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
上海美洛英特化学有限公司15821661757 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
山东博达医药有限公司15624526479 15624526479 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
2 records
Compound notes
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