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经验公式(希尔记法):
C7H12O4
化学文摘社编号:
分子量:
160.17
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4292352
Assay:
96%
Form:
liquid
Quality Segment
assay
96%
form
liquid
optical activity
[α]20/D −8.5°, c = 1.5 in acetone
optical purity
ee: ≥96.0% (GLC)
refractive index
n
bp
84-86 °C/15 mmHg (lit.)
density
1.106 g/mL at 25 °C (lit.)
functional group
ester, ether, ketal
SMILES string
COC(=O)[C@@H]1COC(C)(C)O1
InChI
1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1
InChI key
DOWWCCDWPKGNGX-YFKPBYRVSA-N
Application
(−)-Methyl (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate can be used:
- As a chiral building block to make the key tetrahydrofuran subunit of (−)-gymnodimine, a marine algal toxin.
- To prepare an enedione by reacting with dimethyl methylphosphonate, BuLi, and phenylglyoxal, which in turn is used to synthesize cyclopentenone derivatives.
- As a starting material for the preparation of (S)-4,5-dihydroxy-2,3-pentanedione (DPD), a precursor for autoinducer (AI)-2 in bacteria.
存储类别
10 - Combustible liquids
怎么回事?
WGK 3
闪点 (F)
172.4 °F - closed cup
闪点 (°C)
78 °C - closed cup
PPE(个人防护设备)
Eyeshields, Gloves, type ABEK (EN14387) respirator filter