Boc-L-valine N-methoxy-N-methyl amide - CAS 87694-52-8
Catalog: |
BB038599 |
Product Name: |
Boc-L-valine N-methoxy-N-methyl amide |
CAS: |
87694-52-8 |
Synonyms: |
Boc-L-Val-N(OCH3)CH3; (S)-2-(Boc-amino)-N-methoxy-N,3-dimethylbutanamide; Boc-L-Leucine N,O-Dimethylhydroxamide |
IUPAC Name: | tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate |
Description: | An α-Amino Weinreb amide. Reduced by LiAlH4 to give the corresponding Boc-amino acid aldehyde. |
Molecular Weight: | 260.30 |
Molecular Formula: | C12H24N2O4 |
Canonical SMILES: | CC(C)C(C(=O)N(C)OC)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H24N2O4/c1-8(2)9(10(15)14(6)17-7)13-11(16)18-12(3,4)5/h8-9H,1-7H3,(H,13,16)/t9-/m0/s1 |
InChI Key: | RRBFCGUIFHFYQK-VIFPVBQESA-N |
Boiling Point: | 248 ℃ (lit.) |
Purity: | ≥ 98 % (HPLC, Chiral purity) |
Density: | 1.029 g/mL at 25 ℃ (lit.) |
Appearance: | White to off-white crystalline powder |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00151897 |
LogP: | 1.94640 |
GHS Hazard Statement: | H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3504193-A1 | New difluoroketamide derivatives as htra1 inhibitors | 20160823 |
US-2019185427-A1 | Difluoroketamide derivatives as htra1 inhibitors | 20160823 |
WO-2018036942-A1 | New difluoroketamide derivatives as htra1 inhibitors | 20160823 |
US-11001555-B2 | Difluoroketamide derivatives as HTRA1 inhibitors | 20160823 |
EP-3459941-A1 | Pyrrolidine derivative | 20160722 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.17360725 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS