tert-Butyl N-(2,3-dihydroxypropyl)carbamate - CAS 137618-48-5
Catalog: |
BB008628 |
Product Name: |
tert-Butyl N-(2,3-dihydroxypropyl)carbamate |
CAS: |
137618-48-5 |
Synonyms: |
tert-butyl N-(2,3-dihydroxypropyl)carbamate |
IUPAC Name: | tert-butyl N-(2,3-dihydroxypropyl)carbamate |
Description: | tert-Butyl N-(2,3-dihydroxypropyl)carbamate (CAS# 137618-48-5) is a reagent used in the synthesis of analogs of Vestipitant, potent and orally NK1 antagonists. Also, it is the used in the synthesis of N-Boc-2-aminoacetaldehyde (B600600), which is used in the synthesis of carbohydrates as well as studies relating to inhibitors of cathepsin K. |
Molecular Weight: | 191.22 |
Molecular Formula: | C8H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(CO)O |
InChI: | InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h6,10-11H,4-5H2,1-3H3,(H,9,12) |
InChI Key: | OWAMQHJPVUGZSB-UHFFFAOYSA-N |
Boiling Point: | 361.6 °C at 760 mmHg |
Density: | 1.136 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
LogP: | 0.25520 |
GHS Hazard Statement: | 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021153665-A1 | Novel alkyne derivative | 20200130 |
WO-2021150574-A1 | Sulfonimidamide compounds as nlrp3 modulators | 20200122 |
CN-112876419-A | Allylamine derivatives, process for producing the same and use thereof | 20191129 |
CN-110845724-A | Polyamino acid, preparation method and application thereof | 20191121 |
CN-110845724-B | Polyamino acid, preparation method and application thereof | 20191121 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.11575802 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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