Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid
Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid structure
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Common Name | Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid | ||
|---|---|---|---|---|
| CAS Number | 269726-86-5 | Molecular Weight | 304.341 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 498.6±45.0 °C at 760 mmHg | |
| Molecular Formula | C16H20N2O4 | Melting Point | 85 °C | |
| MSDS | Chinese USA | Flash Point | 255.4±28.7 °C | |
Summary: Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid, also known as (R)-Boc-4-cyanobenzylalanine, has a CAS number of 269726-86-5. Its molecular formula is C16H20N2O4 and molecular weight is 304.341. It is a white powder with a melting point of 85°C and boiling point of 498.6±45.0°C, and a density of 1.2±0.1 g/cm3. For research use only, not for medical or clinical use.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 498.6±45.0 °C at 760 mmHg |
| Melting Point | 85 °C |
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.341 |
| Flash Point | 255.4±28.7 °C |
| Exact Mass | 304.142303 |
| PSA | 99.42000 |
| LogP | 2.48 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | UXSGGQWSQPYJTQ-CYBMUJFWSA-N |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(C#N)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Boc-(R)-3-amino... CAS#:269726-86-5 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 18 p. 4759 - 4762 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3R)-3-Amino-4-(4-cyanophenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid |
| boc-(r)-3-amino-4-(4-cyano-phenyl)-butyric acid |
| (3R)-4-(4-Cyanophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid |
| MFCD01860981 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Related upstream materials(CAS) of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid: 146727-62-0. |
| Q: What is the molecular weight of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Molecular weight of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is 304.341. |
| Q: What is the polar surface area (PSA) of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Polar surface area (PSA) of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is 99.42000. |
| Q: What is the safety information for Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Safety information for Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid: S22-S24/25. |
| Q: What is the SMILES notation of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: SMILES notation of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(C#N)cc1. |
| Q: What is the InChIKey of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: InChIKey of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is UXSGGQWSQPYJTQ-CYBMUJFWSA-N. |
| Q: What is the boiling point of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Boiling point of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is 498.6±45.0 °C at 760 mmHg. |
| Q: What is the English name of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: The English name of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid. |
| Q: What is the molecular formula of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid? |
| A: Molecular formula of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid is C16H20N2O4. |
| Q: What English synonyms does Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid have? |
| A: English synonyms of Boc-(R)-3-amino-4-(4-cyanophenyl)-butyric acid: (3R)-3-Amino-4-(4-cyanophenyl)-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoic acid, boc-(r)-3-amino-4-(4-cyano-phenyl)-butyric acid, (3R)-4-(4-Cyanophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid, MFCD01860981. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |