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CAS RN: 25952-53-8 | Product Number: D1601
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide Hydrochloride [Coupling Agent for Peptides Synthesis]
- 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide Hydrochloride
|Size||Unit Price||Philadelphia, PA||Portland, OR||Japan*||Quantity|
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|Purity / Analysis Method||>98.0%(T)|
|Molecular Formula / Molecular Weight||C__8H__1__7N__3·HCl = 191.70|
|Physical State (20 deg.C)||Solid|
|Store Under Inert Gas||Store under inert gas|
|Condition to Avoid||Moisture Sensitive,Heat Sensitive|
|Reaxys Registry Number||5764110|
|PubChem Substance ID||87568083|
|SDBS (AIST Spectral DB)||21309|
|Appearance||White powder to crystal|
|Purity(with Total Nitrogen)||min. 97.0 %|
|Purity(Argentometric Titration)||min. 98.0 %|
|Melting Point||115 °C|
|Solubility in water||Completely soluble|
|Solubility (soluble in)||Dimethylformamide,Alcohol|
|Hazard Statements||H302 : Harmful if swallowed.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
|Precautionary Statements||P501 : Dispose of contents/ container to an approved waste disposal plant.
P270 : Do not eat, drink or smoke when using this product.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ eye protection/ face protection.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
P362 : Take off contaminated clothing and wash before reuse.
P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
1-(2-methoxyphenyl)piperazine (500 mg, 2.60 mmol) was dissolved in DMF (15 mL). To this solution was added N-benzyloxycarbonyl-L-phenylalanine (770 mg, 2.60 mmol) and HOBt·H2O (414 mg, 2.71 mmol). The reaction mixture was cooled to 0 °C, then EDC·HCl (515 mg, 2.71 mmol) was added. Reaction was allowed to warm to room temperature, then stirred for 20 h at room temperature. Complete of the reaction was confirmed by TLC. Reaction was quenched by adding H2O (20 mL). Reaction mixture was extracted by EtOAc (30 mL). Organic phase was washed with H2O (20 mL, twice) and brine (20 mL), dried over Na2SO4, concentrated under reduced pressure to afford the crude product (1.2 g) as pale yellow oil. The crude product was purified by column chromatography on silica gel (hexane : ethyl acetate = 40 : 60) to afford the product 1 as a white powder (1.10 g, 2.32 mmol, 90%).
The reaction mixture was monitored by TLC (hexane / ethyl acetate = 4 : 6, Rf = 0.40)
Analytical Data（Compound 1）
1H NMR (400 MHz, CDCl3); δ 7.39-7.16 (m, 10H), 6.99 (m, 1H), 6.91-6.84 (m, 2H), 6.78 (m, 1H), 5.73 (d, J = 8,2 Hz, 1H), 5.12-5.01 (m, 2H), 4.91 (dd, J= 7.7, 7.3 Hz, 1H), 3.82 (s, 3H), 3.71-3.63 (m, 2H), 3.51 (m, 1H), 3.31 (m, 1H), 3.07-2.78 (m, 5H), 2.51 (m, 1H).
(Δ means dehydro-form.)
- Total Synthesis of (+)-Lithospermic Acid by Asymmetric Intramolecular Alkylation via Catalytic C−H Bond Activation
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