3-Benzyloxy-1-propanol - CAS 4799-68-2
Catalog: |
BB026448 |
Product Name: |
3-Benzyloxy-1-propanol |
CAS: |
4799-68-2 |
Synonyms: |
3-phenylmethoxypropan-1-ol |
IUPAC Name: | 3-phenylmethoxypropan-1-ol |
Description: | 3-Benzyloxy-1-propanol (CAS# 4799-68-2) is a useful synthetic intermediate. It is used to prepare aldose reductase inhibitors. It is also used to prepare 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecular renin inhibitors. |
Molecular Weight: | 166.22 |
Molecular Formula: | C10H14O2 |
Canonical SMILES: | C1=CC=C(C=C1)COCCCO |
InChI: | InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
InChI Key: | FUCYABRIJPUVAT-UHFFFAOYSA-N |
Boiling Point: | 111-114 °C (2 mmHg) |
Purity: | 98 % |
Density: | 1.049 g/cm3 |
MDL: | MFCD00029659 |
LogP: | 1.58560 |
GHS Hazard Statement: | H315 (100%): 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 |
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PMID | Publication Date | Title | Journal |
22663065 | 20120615 | Selective catalytic sp3 C-O bond cleavage with C-N bond formation in 3-alkoxy-1-propanols | Organic letters |
15355038 | 20040916 | Total synthesis of (+)-cocaine via desymmetrization of a meso-dialdehyde | Organic letters |
Complexity: | 98 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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