2-(Chloromethyl)-4-methylquinazoline - CAS 109113-72-6
Catalog: |
BB002380 |
Product Name: |
2-(Chloromethyl)-4-methylquinazoline |
CAS: |
109113-72-6 |
Synonyms: |
2-(Chloromethyl)-4-methylquinazoline; Linagliptin Impurity 44; NSC 48971; Linagliptin 2-Chloromethyl Impurity |
IUPAC Name: | 2-(chloromethyl)-4-methylquinazoline |
Description: | 2-(Chloromethyl)-4-methylquinazoline is an impurity of Linagliptin. Linagliptin is an inhibitor of dipeptidyl peptidase-4 (DPP-4) that is a medication used to treat type 2 diabetes in conjunction with exercise and diet. |
Molecular Weight: | 192.65 |
Molecular Formula: | C10H9ClN2 |
Canonical SMILES: | CC1=NC(=NC2=CC=CC=C12)CCl |
InChI: | InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3 |
InChI Key: | UHCUBOJGMLASBY-UHFFFAOYSA-N |
Boiling Point: | 240.0±32.0 °C at 760 mmHg |
Melting Point: | 61-63°C |
Purity: | 0.98 |
Density: | 1.3±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly) and Methanol (Slightly) |
Appearance: | White to Pale Yellow Solid |
Storage: | Store at -20°C |
MDL: | MFCD09807547 |
LogP: | 2.67700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P272, P273, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P310, P321, P330, P333+P313, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112961155-A | Preparation method of linagliptin | 20210316 |
CN-112552299-A | Preparation method of linagliptin for treating type II diabetes | 20201225 |
CN-112679500-A | Preparation method of intermediate of hypoglycemic drug linagliptin | 20201225 |
CN-112592320-A | Related substance of linagliptin intermediate and synthesis method thereof | 20201222 |
CN-111187223-A | Synthetic method of linagliptin intermediate 2-chloromethyl-4-methyl quinazoline | 20200309 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.0454260 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.0454260 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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