Fmoc-Trp(Boc)-OH
- Iupac Name：(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
- CAS No.: 143824-78-6
- Molecular Weight：526.58
- Modify Date.: 2022-11-09 22:21
- Introduction: White solid
View more+
1. Names and Identifiers
- 1.1 Name
- Fmoc-Trp(Boc)-OH
- 1.2 Synonyms
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan 3-[(2S)-2-Carboxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]ethyl]indole-1-carboxylic acid tert-butyl ester Fmoc-L-Trp(Boc)-OH Fmoc-Trp(Boc) Fmoc-Trp(Boc)-OH L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- N-α-Fmoc-N-in-Boc-L-tryptophan
- View all
- 1.3 CAS No.
- 143824-78-6
- 1.4 CID
- 9849766
- 1.5 EINECS(EC#)
- 604-383-0
- 1.6 Molecular Formula
- C31H30N2O6 (isomer)
- 1.7 Inchi
- InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1
- 1.8 InChIkey
- ADOHASQZJSJZBT-SANMLTNESA-N
- 1.9 Canonical Smiles
- CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
- 1.10 Isomers Smiles
- CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
2. Properties
- 2.1 Density
- 1.28
- 2.1 Melting point
- 86 - 90 °C
- 2.1 Refractive index
- -20 ° (C=1, DMF)
- 2.1 Precise Quality
- 526.21000
- 2.1 PSA
- 106.86000
- 2.1 logP
- 6.34980
- 2.1 Appearance
- White to off-white crystalline powder
- 2.2 Storage
- Keep Cold. Moisture Sensitive. Store under Argon.
- 2.3 Chemical Properties
- White solid Fmoc-Trp(Boc)-OHSupplier
- 2.4 pKa
- 3.71±0.10(Predicted)
- 2.5 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- S22;S24/25
- 3.1 Hazard Class
- 9
- 3.1 RIDADR
- 3077
- 3.1 WGK Germany
- 3
- 3.1 Safety
-
Hazard Codes:?
Xi
Risk Statements: 36/37/38?
R36/38:Irritating to eyes and skin.
Safety Statements: 22-24/25-36/37/39-27-26?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S27:Take off immediately all contaminated clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 10-21
- 3.2 Specification
-
?Fmoc-Trp(Boc)-OH , its cas register number 143824-78-6. It also can be called?N-alpha-Fmoc-N(in)-Boc-L-tryptophan ; and N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-in-tert-butyl-oxycarbonyl-L-tryptophan .
Hazardous Decomposition Products: These products are CARBON oxides (CO, CO2), nitrogen oxides (NO, NO2.).
- 3.3 Toxicity
-
Skin irritation: Not available.
Acute toxicity
LD50: Not available.
LC50: Not available.
Chronic toxicity: Repeated or prolonged exposure is not known to aggravate medical condition.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin sensitization, Category 1
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Warning |
| Hazard statement(s) | H317 May cause an allergic skin reaction H411 Toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P391 Collect spillage. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Other Information
- 5.0 BRN
- 7698009
- 5.1 Chemical Properties
- White solid
6. Computational chemical data
- Molecular Weight: 526.58g/mol
- Molecular Formula: C31H30N2O6
- Compound Is Canonicalized: True
- XLogP3-AA: 6
- Exact Mass: 526.21038668
- Monoisotopic Mass: 526.21038668
- Complexity: 880
- Rotatable Bond Count: 9
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 107
- Heavy Atom Count: 39
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAeIAAAAwYMAAAAAAAHgB9AAAHgAQCAAADWzhngY+yPPMFgCoAzT3XACCgCAxAiAI2KG4ZJkKIPLAkbGMYAhk1gHYyAeY2fKOgAAAAAASAAAAAAAAACQAAQAACAAAAA==
7. Recommended Suppliers
-
- Products:Pharmaceutical Intermediate , Apis , Food Additives , Herbal Extracts , Fine Chemicals , ...
- Tel:00-86-13023277276
- Email:hanna@xljxcl.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:chemical intermediates ;steroid;lidocaine, benzocaine, procaine
- Tel:86-13720208-757
- Email:1354610833@qq.com
-
- Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
- Tel:+86-571-82512721
- Email:sales@zeerrui.com
8. Realated Product Infomation
skype
1YR
