Basic information
- CAS
109838-85-9- Standard SMILES
COC1=N[C@H](C(C)C)C(OC)=NC1- InChIKey
FCFWEOGTZZPCTO-MRVPVSSYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117775
Names & identifiers
- Preferred name
- (R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
- IUPAC
- (2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
- English name
- (R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
- Molecular formula
- C9H16N2O2
- Molecular weight
- 184.24
Names & synonyms
109838-85-9(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazineDTXSID50352920RefChem:210857DTXCID20303984836-529-6(R)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazineMFCD00040565(2R)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine(2R)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine(2R)-3,6-dimethoxy-2-(propan-2-yl)-2,5-dihydropyrazinePyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-, (2R)-
Show more names
BISLACTIMETHER(R)-2-Isopropyl-3(R)-Schollkopf ReagentSCHOELLKOPF-HARTWIG-REAGENT(2R)-(-)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISO2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
(2R)-2,5-dihydro-3,6-dimethoxy-2-isopropylpyrazine(R)-2-isopropyl-3.6-dimethoxy-2,5-dihydropyrazine(R)-2,5-dihydro-3,6-dimethoxy-2-isopropyl-pyrazine(R)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (>85% Purity)(R)-2,5-Dimethoxy-3-isopropyl-3,6-dihydropyrazine(R)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (>85per cent Purity)Schollkopf reagentSCHEMBL503025
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- alpha
- -102 · -102 º (c=1%, EtOH)
- Density
- 1.028 g/mL · 1.028 g/mL at 20 °C (lit.)
- Flash point
- 85 °C · 85 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform and Ethanol
- form
- Oil
- pka
- 3.81 · 3.81±0.60(Predicted)
- color
- Clear Colourless to Pale Yellow
- optical activity
- 20 · [α]20/D 102±5°, c = 1% in ethanol
- BRN
- 3542790 · 3542790
- Boiling point
- 100 · 100-102°C (20 hPa)
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m1/s1
- InChIKey
- FCFWEOGTZZPCTO-MRVPVSSYSA-N
- SMILES
- [C@H]1(C(C)C)N=C(OC)CN=C1OC
- CAS DataBase Reference
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 2933 99 80
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
Uses(R)-3-Isopropyl-2,5-dimethoxy-3,6-dihydropyrazineChiral auxiliary for the synthesis of α-amino acids. It is an inhibitor with antitumor activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司
Related reactions
22 records
Compound notes
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