(R)-1,3-Butanediol - CAS 6290-03-5
Catalog: |
BB031872 |
Product Name: |
(R)-1,3-Butanediol |
CAS: |
6290-03-5 |
Synonyms: |
(3R)-butane-1,3-diol; (3R)-butane-1,3-diol |
IUPAC Name: | (3R)-butane-1,3-diol |
Description: | (R)-1,3-Butanediol (CAS# 6290-03-5) is a chiral reagent used in the synthesis of pharmaceuticals including the preparation of (-)-tarchonanthuslactone, a δ-lactone skeleton based compound with antiroliferative activity on cancer cell. |
Molecular Weight: | 90.12 |
Molecular Formula: | C4H10O2 |
Canonical SMILES: | CC(CCO)O |
InChI: | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 |
InChI Key: | PUPZLCDOIYMWBV-SCSAIBSYSA-N |
Boiling Point: | 107-110 °C (23 mmHg) |
Melting Point: | 0°C |
Flash Point: | 108°C |
Purity: | 97% |
Density: | 1.005 g/cm3 |
Appearance: | Clear liquid |
LogP: | -0.25040 |
Refractive Index: | 1.44 |
Vapor Pressure: | 0.06 mm Hg ( 20 °C) |
GHS Hazard Statement: | H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045416-A | Preparation method of (R) -3-hydroxybutyryl- (R) -3-hydroxybutyl ester | 20210323 |
CN-112538095-A | Chiral tetradentate ligand, chiral ruthenium complex and method for preparing (R) - (-) -1, 3-butanediol | 20201214 |
US-2021284924-A1 | System and method for liquid fuel production from carbonaceous materials using recycled conditioned syngas | 20200310 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
CN-111100799-A | Method for synthesizing (R) -1, 3-butanediol by using microorganism whole cells | 20200113 |
PMID | Publication Date | Title | Journal |
22362892 | 20120601 | Mitochondrial biogenesis and increased uncoupling protein 1 in brown adipose tissue of mice fed a ketone ester diet | FASEB journal : official publication of the Federation of American Societies for Experimental Biology |
22361860 | 20120501 | Asymmetric synthesis of (R)-1,3-butanediol from 4-hydroxy-2-butanone by a newly isolated strain Candida krusei ZJB-09162 | Applied microbiology and biotechnology |
17443321 | 20070701 | Continuous production of chiral 1,3-butanediol using immobilized biocatalysts in a packed bed reactor: promising biocatalysis method with an asymmetric hydrogen-transfer bioreduction | Applied microbiology and biotechnology |
12036079 | 20020401 | Synthesis of (R)-1,3-butanediol by enantioselective oxidation using whole recombinant Escherichia coli cells expressing (S)-specific secondary alcohol dehydrogenase | Bioscience, biotechnology, and biochemistry |
11766406 | 20011201 | [New orally active penem antibiotic: Farom] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
Complexity: | 28.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 90.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 90.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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